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

*Links on SpectraBase are not permalinks.
1-Cyclohexene-1-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-2H-1-benzopyran-6-yl ester
SpectraBase Compound ID 86zN5C9SdRE
InChI InChI=1S/C21H28O3/c1-14(2)18-13-21(3,4)24-19-11-10-16(12-17(18)19)23-20(22)15-8-6-5-7-9-15/h8,10-12,14,18H,5-7,9,13H2,1-4H3
InChIKey YYEWZKWTZRQOQN-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 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 FiJwHDYGujL
Name 1-Cyclohexene-1-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-2H-1-benzopyran-6-yl ester
Alternate Name(s) 4-Isopropyl-2,2-dimethylchroman-6-yl cyclohex-1-enecarboxylate 2,2-Dimethyl-4-(propan-2-yl)-3,4-dihydro-2H-chromen-6-yl cyclohex-1-ene-1-carboxylate 1-Cyclohexenecarboxylic acid (2,2-dimethyl-4-propan-2-yl-3,4-dihydro-2H-1-benzopyran-6-yl) ester (4-isopropyl-2,2-dimethyl-chroman-6-yl) cyclohexene-1-carboxylate (2,2-dimethyl-4-propan-2-yl-3,4-dihydrochromen-6-yl) cyclohexene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-14(2)18-13-21(3,4)24-19-11-10-16(12-17(18)19)23-20(22)15-8-6-5-7-9-15/h8,10-12,14,18H,5-7,9,13H2,1-4H3
InChIKey YYEWZKWTZRQOQN-UHFFFAOYSA-N
Molecular Weight 328.452 g/mol
SMILES CC(C)C1CC(C)(C)Oc2ccc(OC(=O)C3=CCCCC3)cc12
SPLASH splash10-00b9-4985000000-3e5dd0e0afa88a60c876
Source of Spectrum JX-2015-3-501
Wiley ID 1724065