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

*Links on SpectraBase are not permalinks.
2-Pentalenecarboxylic acid, octahydro-1,3a,4,6a-tetramethyl-3-oxo-, methyl ester, (1.alpha.,2.beta.,3a.alpha.,4.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID HO1lqDO16DA
InChI InChI=1S/C14H22O3/c1-8-6-7-13(3)9(2)10(12(16)17-5)11(15)14(8,13)4/h8-10H,6-7H2,1-5H3/t8-,9-,10-,13+,14-/m1/s1
InChIKey CAOBZKKBBWKRRX-FDACTJFASA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 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 5zCGUOnvsEt
Name 2-Pentalenecarboxylic acid, octahydro-1,3a,4,6a-tetramethyl-3-oxo-, methyl ester, (1.alpha.,2.beta.,3a.alpha.,4.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 116297-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-8-6-7-13(3)9(2)10(12(16)17-5)11(15)14(8,13)4/h8-10H,6-7H2,1-5H3/t8-,9-,10-,13+,14-/m1/s1
InChIKey CAOBZKKBBWKRRX-FDACTJFASA-N
Molecular Weight 238.327 g/mol
SMILES [C@@]12([C@@](C(=O)[C@@]([C@]2(C)[H])(C(=O)OC)[H])([C@](C)(CC1)[H])C)C
SPLASH splash10-052s-4900000000-59db122463af400038c9
Source of Spectrum F-43-4882-9
Synonyms Methyl (1R,2R,3aS,4R,6aS)-1,3a,4,6a-tetramethyl-3-oxooctahydro-2-pentalenecarboxylate Methyl (1RS,3SR,4SR,5RS,8SR)-1,4,5,8-tetramethyl-2-oxo-bicyclo[3.3.0]octan-3-carboxylate
Wiley ID 1240783