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3a-Methyl-5-hydroxy-2,3,4,5-tetrahydroind-7-en-6-one isomer
SpectraBase Compound ID Co4vksZbszZ
InChI InChI=1S/C10H14O2/c1-10-4-2-3-7(10)5-8(11)9(12)6-10/h5,9,12H,2-4,6H2,1H3/t9?,10-/m0/s1
InChIKey QBDBTMIOUZPZDH-AXDSSHIGSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaQSpezoYHO
Name 3a-Methyl-5-hydroxy-2,3,4,5-tetrahydroind-7-en-6-one isomer
Alternate Name(s) (7aS)-7a-methyl-6-oxidanyl-2,3,6,7-tetrahydro-1H-inden-5-one
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Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-10-4-2-3-7(10)5-8(11)9(12)6-10/h5,9,12H,2-4,6H2,1H3/t9?,10-/m0/s1
InChIKey QBDBTMIOUZPZDH-AXDSSHIGSA-N
Molecular Weight 166.220 g/mol
SMILES OC1C(C=C2[C@](C1)(CCC2)C)=O
SPLASH splash10-056r-9400000000-9e79b049aa26c9a14865
Source of Spectrum QC-12-3287-7
Wiley ID 1634840