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Methyl (+,-)-1b,5-dihydroxy-7ab-methyl-2,3,3aa,4,7,7a-hexahydro-1H-indene-6-carboxylate
SpectraBase Compound ID 6YsIJBZOll1
InChI InChI=1S/C12H18O4/c1-12-6-8(11(15)16-2)9(13)5-7(12)3-4-10(12)14/h7,10,13-14H,3-6H2,1-2H3/t7?,10-,12-/m0/s1
InChIKey IHPMPSMMXRUNKK-SKWLVCNZSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zktKYKmhpu
Name Methyl (+,-)-1b,5-dihydroxy-7ab-methyl-2,3,3aa,4,7,7a-hexahydro-1H-indene-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-12-6-8(11(15)16-2)9(13)5-7(12)3-4-10(12)14/h7,10,13-14H,3-6H2,1-2H3/t7?,10-,12-/m0/s1
InChIKey IHPMPSMMXRUNKK-SKWLVCNZSA-N
Molecular Weight 226.272 g/mol
SMILES O[C@]1(CCC2[C@@]1(CC(=C(C2)O)C(=O)OC)C)[H]
SPLASH splash10-004l-8910000000-c36a99e8efea305e3e06
Source of Spectrum B-45-71-0
Synonyms Methyl (3S,3aS)-3,6-dihydroxy-3a-methyl-2,3,3a,4,7,7a-hexahydro-1H-indene-5-carboxylate
Wiley ID 1227342