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

*Links on SpectraBase are not permalinks.
(1S,3R,5R)-5-(4-Methoxybenzoyl)-1,3-bis(methoxycarbonyl)cyclohexane
SpectraBase Compound ID 3rhFTD4JQLL
InChI InChI=1S/C18H22O6/c1-22-15-6-4-11(5-7-15)16(19)12-8-13(17(20)23-2)10-14(9-12)18(21)24-3/h4-7,12-14H,8-10H2,1-3H3/t12-,13+,14-
InChIKey VJNFIDNAHBYGBU-BTTYYORXSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 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 5cVSzTKd2Sa
Name (1S,3R,5R)-5-(4-Methoxybenzoyl)-1,3-bis(methoxycarbonyl)cyclohexane
Alternate Name(s) (3S*,5R*)-cis-5-(4-Methoxybenzoyl)-1,3-bis(methoxycarbonyl)cyclohexane Dimethyl (1R,3S)-5-(4-methoxybenzoyl)-1,3-cyclohexanedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-22-15-6-4-11(5-7-15)16(19)12-8-13(17(20)23-2)10-14(9-12)18(21)24-3/h4-7,12-14H,8-10H2,1-3H3/t12-,13+,14-
InChIKey VJNFIDNAHBYGBU-BTTYYORXSA-N
Molecular Weight 334.368 g/mol
SMILES [C@]1(C(c2ccc(cc2)OC)=O)(C[C@](C(=O)OC)(C[C@@](C1)(C(=O)OC)[H])[H])[H]
SPLASH splash10-000i-0900000000-e89a669552f901e679f5
Source of Spectrum F-53-12501-10
Wiley ID 803585