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

*Links on SpectraBase are not permalinks.
Methyl ester of Octahydro-2,7-dimethyl-4a-(4-methylpentyl)-4H-benzo[3,4]cyclobuta[1,2-d]-1,3-dioxin-8-acetic acid
SpectraBase Compound ID DKnqiQhHbUX
InChI InChI=1S/C21H36O4/c1-13(2)7-6-10-21-12-24-15(4)25-20(21)19-16(11-18(22)23-5)14(3)8-9-17(19)21/h13-17,19-20H,6-12H2,1-5H3
InChIKey CSOGPVVCLNZWJE-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 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 KuzGKGseqqS
Name Methyl ester of Octahydro-2,7-dimethyl-4a-(4-methylpentyl)-4H-benzo[3,4]cyclobuta[1,2-d]-1,3-dioxin-8-acetic acid
Alternate Name(s) Methyl[2,7-dimethyl-4a-(4-methylpentyl)octahydro-4H-benzo[3,4]cyclobuta[1,2-d][1,3]dioxin-8-yl]acetate
CAS Registry Number 57743-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-13(2)7-6-10-21-12-24-15(4)25-20(21)19-16(11-18(22)23-5)14(3)8-9-17(19)21/h13-17,19-20H,6-12H2,1-5H3
InChIKey CSOGPVVCLNZWJE-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C12(C(OC(OC2)C)C2C1CCC(C)C2CC(=O)OC)CCCC(C)C
SPLASH splash10-001i-0932000000-749d7ef0a9c3e2f12f03
Source of Spectrum F-36-3258-0
Wiley ID 1343508