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3a-Methyl-5-acetoxy-2,3,4,5-tetrahydroind-7-en-6-one
SpectraBase Compound ID EuYgpY8HaR4
InChI InChI=1S/C12H16O3/c1-8(13)15-11-7-12(2)5-3-4-9(12)6-10(11)14/h6,11H,3-5,7H2,1-2H3/t11?,12-/m0/s1
InChIKey HQGKOLJITARHFR-KIYNQFGBSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QE6GWVCfyz
Name 3a-Methyl-5-acetoxy-2,3,4,5-tetrahydroind-7-en-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-8(13)15-11-7-12(2)5-3-4-9(12)6-10(11)14/h6,11H,3-5,7H2,1-2H3/t11?,12-/m0/s1
InChIKey HQGKOLJITARHFR-KIYNQFGBSA-N
Molecular Weight 208.257 g/mol
SMILES C1=2[C@](CC(C(C2)=O)OC(=O)C)(CCC1)C
SPLASH splash10-00di-3900000000-15236bc240bb6a2df940
Source of Spectrum QC-12-3286-5
Synonyms 3a-Methyl-5-acetoxy-2,3,4,5-tetrahydroind-7-en-6-one isomer
Wiley ID 1634843