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5,9-Ethano-5H-benzocyclohepten-10-one, 6,7,8,9-tetrahydro-
SpectraBase Compound ID 9NIzXrhMjaa
InChI InChI=1S/C13H14O/c14-13-8-9-4-3-7-12(13)11-6-2-1-5-10(9)11/h1-2,5-6,9,12H,3-4,7-8H2/t9-,12-/m1/s1
InChIKey LMPFTEKAKWOOPE-BXKDBHETSA-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 Ko2VE6Knu91
Name 5,9-Ethano-5H-benzocyclohepten-10-one, 6,7,8,9-tetrahydro-
CAS Registry Number 129956-37-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O
InChI InChI=1S/C13H14O/c14-13-8-9-4-3-7-12(13)11-6-2-1-5-10(9)11/h1-2,5-6,9,12H,3-4,7-8H2/t9-,12-/m1/s1
InChIKey LMPFTEKAKWOOPE-BXKDBHETSA-N
Molecular Weight 186.254 g/mol
SMILES c12c([C@@]3(CCC[C@]1(C(C3)=O)[H])[H])cccc2
SPLASH splash10-004r-0900000000-7ef3b597d9bcbaf7f51a
Source of Spectrum F-46-3833-37
Synonyms 6,7-Benzobicyclo[3,2,2]6-nonen-8-one tricyclo[6.3.2.0(2,7)]trideca-2,4,6-trien-12-one
Wiley ID 1183429