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2a-Methyl-2,2a,7,7a-tetrahydro-1H-cyclobut[a]inden-1-one
SpectraBase Compound ID Lxnwbmsj4jO
InChI InChI=1S/C12H12O/c1-12-7-11(13)10(12)6-8-4-2-3-5-9(8)12/h2-5,10H,6-7H2,1H3
InChIKey VGKYEWVZQYSCMO-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CPIr49Y4nz
Name 2a-Methyl-2,2a,7,7a-tetrahydro-1H-cyclobut[a]inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-12-7-11(13)10(12)6-8-4-2-3-5-9(8)12/h2-5,10H,6-7H2,1H3
InChIKey VGKYEWVZQYSCMO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080124
Molecular Weight 172.227 g/mol
SMILES c1cc2c(cc1)CC1C2(CC1=O)C
SPLASH splash10-001i-0900000000-a60202d58daafc35225c
Source of Spectrum K-108-199-12
Synonyms 2a-methyl-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-1-one
Wiley ID 1793799