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

*Links on SpectraBase are not permalinks.
1-Cyclobutene-1-carboxylic acid, 3,5,5-trimethyl-2-cyclohexen-1-yl ester, (.+-.)-
SpectraBase Compound ID 5o3aePfA4Vc
InChI InChI=1S/C14H20O2/c1-10-7-12(9-14(2,3)8-10)16-13(15)11-5-4-6-11/h5,7,12H,4,6,8-9H2,1-3H3
InChIKey TXNIRMMAPPVMAF-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 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 EUBSTRgGUKG
Name 1-Cyclobutene-1-carboxylic acid, 3,5,5-trimethyl-2-cyclohexen-1-yl ester, (.+-.)-
CAS Registry Number 72548-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-10-7-12(9-14(2,3)8-10)16-13(15)11-5-4-6-11/h5,7,12H,4,6,8-9H2,1-3H3
InChIKey TXNIRMMAPPVMAF-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(C1=CCC1)(OC1C=C(C)CC(C1)(C)C)=O
SPLASH splash10-0a4i-6900000000-63f14980e518199f203c
Source of Spectrum C-101-7376-0
Synonyms 3,5,5-trimethyl-2-cyclohexen-1-yl 1-cyclobutene-1-carboxylate Isophoryl cyclobut-1-enecarboxylate
Wiley ID 1220101