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5-(1-Hydroxybutyl)tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one
SpectraBase Compound ID 51EvIgSfpwi
InChI InChI=1S/C14H18O2/c1-2-3-11(15)10-7-12(16)14-9-5-4-8(6-9)13(10)14/h4-5,7-9,11,13-15H,2-3,6H2,1H3/t8-,9+,11?,13-,14+/m0/s1
InChIKey ZDWNTLPUUFRPRO-NERBUGQESA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mgAq7oDjbK
Name 5-(1-Hydroxybutyl)tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one
Alternate Name(s) (3aR,4R,7S,7aS)-3-(1-Hydroxy-butyl)-3a,4,7,7a-tetrahydro-4,7-methano-inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-2-3-11(15)10-7-12(16)14-9-5-4-8(6-9)13(10)14/h4-5,7-9,11,13-15H,2-3,6H2,1H3/t8-,9+,11?,13-,14+/m0/s1
InChIKey ZDWNTLPUUFRPRO-NERBUGQESA-N
Molecular Weight 218.296 g/mol
SMILES OC(C=1[C@]2([C@@]([C@]3(C[C@@]2(C=C3)[H])[H])([H])C(C1)=O)[H])CCC
SPLASH splash10-00kf-7900000000-e5ca1e95e99a7a597f2f
Source of Spectrum QC-10-465-6
Wiley ID 870997