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

*Links on SpectraBase are not permalinks.

Methyl 3 - (4'-hydroxyisopropyl -2'-methylphenylcarboxylate)- 1.beta.,3.beta. - dimethyl - 2 - oxo - cyclohexane - carboxylate (in lactol form)(NAME?)

View entire compound with spectra: 1 MS (GC)

Methyl 3 - (4'-hydroxyisopropyl -2'-methylphenylcarboxylate)- 1.beta.,3.beta. - dimethyl - 2 - oxo - cyclohexane - carboxylate (in lactol form)(NAME?)
SpectraBase Compound ID C3tbITtx229
InChI InChI=1S/C21H28O6/c1-19(2,25)13-8-9-15(14(12-13)16(22)26-5)20(3)10-7-11-21(4,17(20)23)18(24)27-6/h8-9,12,25H,7,10-11H2,1-6H3/t20-,21-/m0/s1
InChIKey NVCMHXNAWLBQMU-SFTDATJTSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 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 6wyykI9wmzu
Name Methyl 3 - (4'-hydroxyisopropyl -2'-methylphenylcarboxylate)- 1.beta.,3.beta. - dimethyl - 2 - oxo - cyclohexane - carboxylate (in lactol form)(NAME?)
Alternate Name(s) Methyl 3-[4'-(1''-hydroxy-1''-methylethyl)-2'-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-19(2,25)13-8-9-15(14(12-13)16(22)26-5)20(3)10-7-11-21(4,17(20)23)18(24)27-6/h8-9,12,25H,7,10-11H2,1-6H3/t20-,21-/m0/s1
InChIKey NVCMHXNAWLBQMU-SFTDATJTSA-N
Molecular Weight 376.449 g/mol
SMILES OC(c1cc(c([C@]2(C([C@@](C(=O)OC)(CCC2)C)=O)C)cc1)C(=O)OC)(C)C
SPLASH splash10-014r-4649000000-9b97df6b54b34b0b26a2
Source of Spectrum X2-52-93-15
Wiley ID 1602984