For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R-(1.alpha.(6R*)2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxo-6-(2-propenyl)-cyclohexanecarboxylic acid
SpectraBase Compound ID DHqjTnISmHy
InChI InChI=1S/C20H32O3/c1-5-7-15-8-6-9-17(21)19(15)20(22)23-18-12-14(4)10-11-16(18)13(2)3/h5,13-16,18-19H,1,6-12H2,2-4H3/t14-,15+,16+,18?,19-/m1/s1
InChIKey JSZOPKYOBUWRSC-JTEDIOBDSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 49bNMqTfdDY
Name (1R-(1.alpha.(6R*)2.beta.,5.alpha.))-5-methyl-2-(1-methylethyl)cyclohexyl ester of 2-oxo-6-(2-propenyl)-cyclohexanecarboxylic acid
Alternate Name(s) (2S,5R)-2-isopropyl-5-methylcyclohexyl (1R,2R)-2-allyl-6-oxocyclohexanecarboxylate
CAS Registry Number 74965-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-5-7-15-8-6-9-17(21)19(15)20(22)23-18-12-14(4)10-11-16(18)13(2)3/h5,13-16,18-19H,1,6-12H2,2-4H3/t14-,15+,16+,18?,19-/m1/s1
InChIKey JSZOPKYOBUWRSC-JTEDIOBDSA-N
Molecular Weight 320.473 g/mol
SMILES C([C@]1(C(=O)CCC[C@@]1(CC=C)[H])[H])(OC1[C@@](CC[C@](C1)(C)[H])(C(C)C)[H])=O
SPLASH splash10-000x-0910000000-d53e33c84ff49db4920f
Source of Spectrum J-45-4701-0
Wiley ID 1320410