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(S)-N-Phenylallylglycine (8R)-phenylmenthyl ester
SpectraBase Compound ID 5amgYcuZokI
InChI InChI=1S/C27H35NO2/c1-5-18-28(23-14-10-7-11-15-23)20-26(29)30-25-19-21(2)16-17-24(25)27(3,4)22-12-8-6-9-13-22/h5-15,21,24-25H,1,16-20H2,2-4H3/t21?,24?,25-/m0/s1
InChIKey KLRZYYCNFBFBFW-MTQWGCILSA-N
Mol Weight 405.6 g/mol
Molecular Formula C27H35NO2
Exact Mass 405.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcIexV8WFjN
Name (S)-N-Phenylallylglycine (8R)-phenylmenthyl ester
Alternate Name(s) (1S)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (allylanilino)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO2
InChI InChI=1S/C27H35NO2/c1-5-18-28(23-14-10-7-11-15-23)20-26(29)30-25-19-21(2)16-17-24(25)27(3,4)22-12-8-6-9-13-22/h5-15,21,24-25H,1,16-20H2,2-4H3/t21?,24?,25-/m0/s1
InChIKey KLRZYYCNFBFBFW-MTQWGCILSA-N
Molecular Weight 405.582 g/mol
SMILES C1([C@@](OC(CN(c2ccccc2)CC=C)=O)(CC(CC1)C)[H])C(c1ccccc1)(C)C
SPLASH splash10-0aos-0911000000-fa8e8065c37efd0931e1
Source of Spectrum KD-13-2068-11
Wiley ID 1635512