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(3aS,7aS)-7a-methyl-1,3,3a,4-tetrahydroindene-2,5-dione
SpectraBase Compound ID 4iqveLWO8VA
InChI InChI=1S/C10H12O2/c1-10-3-2-8(11)4-7(10)5-9(12)6-10/h2-3,7H,4-6H2,1H3/t7-,10+/m1/s1
InChIKey RSINUUPHVQUSIX-XCBNKYQSSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0gfrWteoHg
Name (3aS,7aS)-7a-methyl-1,3,3a,4-tetrahydroindene-2,5-dione
Alternate Name(s) (3aS,7aS)-7a-methyl-1,3,3a,4-tetrahydroindene-2,5-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-10-3-2-8(11)4-7(10)5-9(12)6-10/h2-3,7H,4-6H2,1H3/t7-,10+/m1/s1
InChIKey RSINUUPHVQUSIX-XCBNKYQSSA-N
Molecular Weight 164.204 g/mol
SMILES [C@@]12([C@@](CC(C2)=O)(CC(C=C1)=O)[H])C
SPLASH splash10-00ke-9200000000-1de71725e9837babfc09
Source of Spectrum K-2001-2044-3
Wiley ID 1579518