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7H-Benzo[3,4]cyclobuta[1,2]cyclohepten-7-one, 4b,5,6,8,9,9a-hexahydro-
SpectraBase Compound ID 5puRex2rcz7
InChI InChI=1S/C13H14O/c14-9-5-7-12-10-3-1-2-4-11(10)13(12)8-6-9/h1-4,12-13H,5-8H2
InChIKey PTHCEVSVFSYQGM-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C13H14O
Exact Mass 186.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lyxPvnkcQG
Name 7H-Benzo[3,4]cyclobuta[1,2]cyclohepten-7-one, 4b,5,6,8,9,9a-hexahydro-
CAS Registry Number 68913-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c14-9-5-7-12-10-3-1-2-4-11(10)13(12)8-6-9/h1-4,12-13H,5-8H2
InChIKey PTHCEVSVFSYQGM-UHFFFAOYSA-N
Molecular Weight 186.254 g/mol
SMILES C12C(CCC(CC2)=O)c2c1cccc2
SPLASH splash10-00or-0900000000-623dc77763b3b40cb2f2
Source of Spectrum B-31-1603-0
Synonyms 4b,5,6,8,9,9a-hexahydro-7H-benzo[3,4]cyclobuta[1,2-a]cyclohepten-7-one 5,8,9,9a-tetrahydro-4bh-benzo[3,4]cyclobuta[1,2]cyclohepten-7(6H)-one
Wiley ID 1183406