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(3aS,7aR)-3a-hydroxy-7a-methyl-1-methylene-3,4,6,7-tetrahydro-2H-inden-5-one
SpectraBase Compound ID ApcHJHZQ7JA
InChI InChI=1S/C11H16O2/c1-8-3-6-11(13)7-9(12)4-5-10(8,11)2/h13H,1,3-7H2,2H3/t10-,11+/m1/s1
InChIKey LOJJLBPCUXEKEQ-MNOVXSKESA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3s87HaMjbc
Name (3aS,7aR)-3a-hydroxy-7a-methyl-1-methylene-3,4,6,7-tetrahydro-2H-inden-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-8-3-6-11(13)7-9(12)4-5-10(8,11)2/h13H,1,3-7H2,2H3/t10-,11+/m1/s1
InChIKey LOJJLBPCUXEKEQ-MNOVXSKESA-N
Molecular Weight 180.247 g/mol
SMILES O[C@]12[C@@](C(=C)CC2)(CCC(C1)=O)C
SPLASH splash10-00di-0900000000-4670f8b5c61ed1f40993
Source of Spectrum SK-25-1380-7
Synonyms (3aS,7aR)-3a-hydroxy-7a-methyl-1-methylidene-3,4,6,7-tetrahydro-2H-inden-5-one (3aS,7aR)-7a-methyl-1-methylidene-3a-oxidanyl-3,4,6,7-tetrahydro-2H-inden-5-one
Wiley ID 866715