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1-Pentalenecarboxylic acid, 3,3a,4,5,6,6a-hexahydro-4-methyl-5-methylene-, methyl ester, (3a.alpha.,4.alpha.,6a.alpha.)-
SpectraBase Compound ID 68bYpzqQJMs
InChI InChI=1S/C12H16O2/c1-7-6-11-9(8(7)2)4-5-10(11)12(13)14-3/h5,8-9,11H,1,4,6H2,2-3H3/t8-,9+,11-/m1/s1
InChIKey OHSSJBPNWSVRBI-WCABBAIRSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ENFWqk2Gwo
Name 1-Pentalenecarboxylic acid, 3,3a,4,5,6,6a-hexahydro-4-methyl-5-methylene-, methyl ester, (3a.alpha.,4.alpha.,6a.alpha.)-
Alternate Name(s) 2-Carbomethoxy-6-methyl-7-methylenebicyclo[3.3.0]-oct-6-ene Methyl (3aS,4S,6aR)-4-methyl-5-methylene-3,3a,4,5,6,6a-hexahydro-1-pentalenecarboxylate
CAS Registry Number 94235-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-7-6-11-9(8(7)2)4-5-10(11)12(13)14-3/h5,8-9,11H,1,4,6H2,2-3H3/t8-,9+,11-/m1/s1
InChIKey OHSSJBPNWSVRBI-WCABBAIRSA-N
Molecular Weight 192.258 g/mol
SMILES [C@]12(C(=CC[C@]2([C@](C)(C(C1)=C)[H])[H])C(=O)OC)[H]
SPLASH splash10-001l-0900000000-471fb0cb2466170561e0
Source of Spectrum C-107-1298-0
Wiley ID 1188649