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

*Links on SpectraBase are not permalinks.
1,3-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-6-methoxy-, 1,1-dimethylethyl ester, trans-
SpectraBase Compound ID A3gPJ1PkZvu
InChI InChI=1S/C12H18O4/c1-12(2,3)16-11(14)8-6-5-7-9(13)10(8)15-4/h5-7,9-10,13H,1-4H3
InChIKey NDVMNOIRWIHQOB-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 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 3XjADgAdqS
Name 1,3-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-6-methoxy-, 1,1-dimethylethyl ester, trans-
Alternate Name(s) tert-Butyl 5-hydroxy-6-methoxy-1,3-cyclohexadiene-1-carboxylate 5-Hydroxy-6-methoxy-1-cyclohexa-1,3-dienecarboxylic acid tert-butyl ester 5-Hydroxy-6-methoxy-cyclohexa-1,3-diene-1-carboxylic acid tert-butyl ester tert-Butyl 5-hydroxy-6-methoxy-cyclohexa-1,3-diene-1-carboxylate tert-Butyl 6-methoxy-5-oxidanyl-cyclohexa-1,3-diene-1-carboxylate
CAS Registry Number 55723-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-12(2,3)16-11(14)8-6-5-7-9(13)10(8)15-4/h5-7,9-10,13H,1-4H3
InChIKey NDVMNOIRWIHQOB-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC1C(C(C(OC(C)(C)C)=O)=CC=C1)OC
SPLASH splash10-059i-7900000000-601903aaa56f8fed3bbc
Source of Spectrum C-96-1196-14
Wiley ID 1227250