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(1R,2S,5R)-8-Phenylmenthyl N-Benzoyl-(S)-.alpha.-methylcinnamylglycinate
SpectraBase Compound ID 9xmVc6COtRy
InChI InChI=1S/C35H41NO3/c1-26-20-21-31(35(3,4)30-18-12-7-13-19-30)32(23-26)39-33(37)25-36(34(38)29-16-10-6-11-17-29)24-27(2)22-28-14-8-5-9-15-28/h5-19,22,26,31-32H,20-21,23-25H2,1-4H3/b27-22+/t26-,31?,32+/m1/s1
InChIKey AJFHKYUIDYCDRR-CNHILJCWSA-N
Mol Weight 523.7 g/mol
Molecular Formula C35H41NO3
Exact Mass 523.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRmJXCheK4x
Name (1R,2S,5R)-8-Phenylmenthyl N-Benzoyl-(S)-.alpha.-methylcinnamylglycinate
Alternate Name(s) (1S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl {benzoyl[(2E)-2-methyl-3-phenyl-2-propenyl]amino}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H41NO3
InChI InChI=1S/C35H41NO3/c1-26-20-21-31(35(3,4)30-18-12-7-13-19-30)32(23-26)39-33(37)25-36(34(38)29-16-10-6-11-17-29)24-27(2)22-28-14-8-5-9-15-28/h5-19,22,26,31-32H,20-21,23-25H2,1-4H3/b27-22+/t26-,31?,32+/m1/s1
InChIKey AJFHKYUIDYCDRR-CNHILJCWSA-N
Molecular Weight 523.717 g/mol
SMILES C(N(CC(O[C@@]1(C(C(c2ccccc2)(C)C)CC[C@](C1)(C)[H])[H])=O)C\C(=C\c1ccccc1)C)(=O)c1ccccc1
SPLASH splash10-0a4r-0900000000-539a153dbb1d170385b7
Source of Spectrum J-60-1237-13
Wiley ID 1402423