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2H-Tribenzo[a,c,e]cyclohepten-2-one, 1,3,4,4a,9,13b-hexahydro-3-hydroxy-, [4aR-(4a.alpha.,13b.beta.)]-
SpectraBase Compound ID I55lekpC1Pf
InChI InChI=1S/C19H18O2/c20-18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17(16)11-19(18)21/h1-8,16-18,20H,9-11H2/t16-,17-,18?/m0/s1
InChIKey HLBMEWVFDQVHNT-UBFHEZILSA-N
Mol Weight 278.35 g/mol
Molecular Formula C19H18O2
Exact Mass 278.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBvMkSeeY5H
Name 2H-Tribenzo[a,c,e]cyclohepten-2-one, 1,3,4,4a,9,13b-hexahydro-3-hydroxy-, [4aR-(4a.alpha.,13b.beta.)]-
CAS Registry Number 115474-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O2
InChI InChI=1S/C19H18O2/c20-18-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)17(16)11-19(18)21/h1-8,16-18,20H,9-11H2/t16-,17-,18?/m0/s1
InChIKey HLBMEWVFDQVHNT-UBFHEZILSA-N
Molecular Weight 278.351 g/mol
SMILES OC1C(C[C@@]2([C@](c3c(cccc3)Cc3c2cccc3)(C1)[H])[H])=O
SPLASH splash10-004i-0690000000-0fc25521a7b3bb3da5db
Source of Spectrum F-43-4958-25
Synonyms (4aR,13bR)-3-hydroxy-1,3,4,4a,9,13b-hexahydro-2H-tribenzo[a,c,e]cyclohepten-2-one 3-Hydroxy-(4aR,13bR)-1,3,4,4a,9,13b-hexahydro-2H-tribenzo[a,c,e]cyclohepten-2-one
Wiley ID 1282510