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Cyclobut[a]azulen-8(3H)-one, 2a,4,7,8a-tetrahydro-
SpectraBase Compound ID ON876FxAC0
InChI InChI=1S/C12H12O/c13-12-10-5-3-1-2-4-8(10)9-6-7-11(9)12/h1,3,6-7,9,11H,2,4-5H2
InChIKey MIYBFKVJIVXTNE-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 Lk8TS6Suj7j
Name Cyclobut[a]azulen-8(3H)-one, 2a,4,7,8a-tetrahydro-
CAS Registry Number 87306-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c13-12-10-5-3-1-2-4-8(10)9-6-7-11(9)12/h1,3,6-7,9,11H,2,4-5H2
InChIKey MIYBFKVJIVXTNE-UHFFFAOYSA-N
Molecular Weight 172.227 g/mol
SMILES C12=C(C3C=CC3C2=O)CCC=CC1
SPLASH splash10-00or-0900000000-29a6c3441057bbd303b7
Source of Spectrum F-42-1754-34
Synonyms 2a,4,7,8a-tetrahydrocyclobuta[a]azulen-8(3H)-one Tricyclo[5,5,0,0(2,5)]dodeca-1(7),3,9-trien-6-one
Wiley ID 1169428