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6H-Benzo[3,4]cyclobuta[1,2]cyclohepten-6-one, 4b,5,7,8,9,9a-hexahydro-
SpectraBase Compound ID Lg3hoizM2id
InChI InChI=1S/C13H14O/c14-12-8-4-3-7-11-9-5-1-2-6-10(9)13(11)12/h1-2,5-6,11,13H,3-4,7-8H2
InChIKey MUJGKMDEQVDGRB-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 kVrJWqdLMG
Name 6H-Benzo[3,4]cyclobuta[1,2]cyclohepten-6-one, 4b,5,7,8,9,9a-hexahydro-
CAS Registry Number 68913-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c14-12-8-4-3-7-11-9-5-1-2-6-10(9)13(11)12/h1-2,5-6,11,13H,3-4,7-8H2
InChIKey MUJGKMDEQVDGRB-UHFFFAOYSA-N
Molecular Weight 186.254 g/mol
SMILES c12C3C(=O)CCCCC3c2cccc1
SPLASH splash10-00or-0900000000-5f2ab8b72b668062df59
Source of Spectrum B-31-1603-0
Synonyms 7,8,9,9a-tetrahydro-4bh-benzo(3,4)cyclobuta(1,2)cyclohepten-6(5H)-one 4b,6,7,8,9,9a-hexahydro-5H-benzo[3,4]cyclobuta[1,2-a]cyclohepten-5-one cis-7,8,9,9a-tetrahydro-6H-benzo[3,4]cyclobuta[1,2]cyclohepten-5(4bH)-one
Wiley ID 1183408