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

*Links on SpectraBase are not permalinks.
Pentanoic acid, 5-[(tetrahydro-2H-pyran-2-yl)oxy]-, 3a,4,7,7a-tetrahydro-4,7-methano-1H-inden-1-yl ester, (1.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID H5azXuw0Spm
InChI InChI=1S/C20H28O4/c21-18(5-1-3-11-22-19-6-2-4-12-23-19)24-17-10-9-16-14-7-8-15(13-14)20(16)17/h7-10,14-17,19-20H,1-6,11-13H2/t14-,15+,16-,17+,19?,20+/m0/s1
InChIKey UFBRLTCYUFZBOY-LFWNMIAKSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 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 95eMi4sWqZs
Name Pentanoic acid, 5-[(tetrahydro-2H-pyran-2-yl)oxy]-, 3a,4,7,7a-tetrahydro-4,7-methano-1H-inden-1-yl ester, (1.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-(.+-.)-
Alternate Name(s) (1S,2R,3R,6S,7R)-tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-yl 5-(tetrahydro-2H-pyran-2-yloxy)pentanoate 1SR,2SR,5SR,6SR,7SR-tricyclo[5.2.1.0]deca-3,8,-dien-5-yl 5'-(2''-tetrahydropyranyloxypentanote 1SR,2SR,5SR,6SR,7SR-Tricyclo[5.2.1.0]deca-3,8,-dien-5-yl 5'-(2''-tetrahydropyranyloxypentanote
CAS Registry Number 88555-65-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c21-18(5-1-3-11-22-19-6-2-4-12-23-19)24-17-10-9-16-14-7-8-15(13-14)20(16)17/h7-10,14-17,19-20H,1-6,11-13H2/t14-,15+,16-,17+,19?,20+/m0/s1
InChIKey UFBRLTCYUFZBOY-LFWNMIAKSA-N
Molecular Weight 332.440 g/mol
SMILES [C@@]12([C@]3([C@@](C=C[C@@]3([H])[C@@](C1)([H])C=C2)(OC(=O)CCCCOC1OCCCC1)[H])[H])[H]
SPLASH splash10-001i-0900000000-2480389baa38798cee62
Source of Spectrum F-39-2766-0
Wiley ID 1329601