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Substance Name: Benzylmandelate
RN: 890-98-2
UNII: 2QN49PWH71
InChIKey: JFKWZVQEMSKSBU-UHFFFAOYSA-N

Molecular Formula

  • C15-H14-O3

Molecular Weight

  • 242.273
 
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Names and Synonyms

Name of Substance

  • Benzylmandelate

Synonyms

  • AI3-20078
  • Benzyl mandelate
  • Benzylin
  • EINECS 212-965-7
  • NSC 9522
  • Phenylglycolic acid benzyl ester
  • Spasmolyt
  • UNII-2QN49PWH71

Systematic Names

  • Benzeneacetic acid, alpha-hydroxy-, phenylmethyl ester (9CI)
  • Benzyl mandelate
  • Mandelic acid, benzyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 890-98-2

FDA UNII

  • 2QN49PWH71

System Generated Number

  • 0000890982

Structure Descriptors

InChI

1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2

InChIKey

JFKWZVQEMSKSBU-UHFFFAOYSA-N

Smiles

c1([C@@H](C(OCc2ccccc2)=O)O)ccccc1