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Carbamic acid, [5-methyl-6-(3-oxo-1-hexenyl)-2-cyclohexen-1-yl]-, phenylmethyl ester, (1.alpha.,5.beta.,6.alpha.)-(.+-.)-
SpectraBase Compound ID Ip7NdeIuIWY
InChI InChI=1S/C21H27NO3/c1-3-8-18(23)13-14-19-16(2)9-7-12-20(19)22-21(24)25-15-17-10-5-4-6-11-17/h4-7,10-14,16,19-20H,3,8-9,15H2,1-2H3,(H,22,24)/b14-13+/t16-,19+,20-/m1/s1
InChIKey AYZCJWOPGDCUIH-TVPZDSEDSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7owbviwY8c
Name Carbamic acid, [5-methyl-6-(3-oxo-1-hexenyl)-2-cyclohexen-1-yl]-, phenylmethyl ester, (1.alpha.,5.beta.,6.alpha.)-(.+-.)-
Alternate Name(s) 3.beta.-methyl-2.alpha.-(1-hepten-2-on-yl)-1.alpha.-benzyloxy carbamyl-4-cyclohexene benzyl (1R,5R,6R)-5-methyl-6-[(1E)-3-oxo-1-hexenyl]-2-cyclohexen-1-ylcarbamate
CAS Registry Number 67880-40-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-3-8-18(23)13-14-19-16(2)9-7-12-20(19)22-21(24)25-15-17-10-5-4-6-11-17/h4-7,10-14,16,19-20H,3,8-9,15H2,1-2H3,(H,22,24)/b14-13+/t16-,19+,20-/m1/s1
InChIKey AYZCJWOPGDCUIH-TVPZDSEDSA-N
Molecular Weight 341.451 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@@](\C=C\C(=O)CCC)([C@@](CC=C1)(C)[H])[H])[H]
SPLASH splash10-0006-9210000000-9433c12dddf1355d7bcb
Source of Spectrum C-100-5183-0
Wiley ID 1336054