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2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3-methyl-5-(1-methylethyl)-, (3.alpha.,4a.beta.,5.beta.)-(.+-.)-
SpectraBase Compound ID Gnc9RNghhqP
InChI InChI=1S/C14H22O/c1-9(2)12-6-4-5-11-8-14(15)10(3)7-13(11)12/h8-10,12-13H,4-7H2,1-3H3/t10-,12-,13+/m1/s1
InChIKey WWGCHMJRBOIVHK-RTXFEEFZSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55BzHoiL7ls
Name 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3-methyl-5-(1-methylethyl)-, (3.alpha.,4a.beta.,5.beta.)-(.+-.)-
CAS Registry Number 86000-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-9(2)12-6-4-5-11-8-14(15)10(3)7-13(11)12/h8-10,12-13H,4-7H2,1-3H3/t10-,12-,13+/m1/s1
InChIKey WWGCHMJRBOIVHK-RTXFEEFZSA-N
Molecular Weight 206.329 g/mol
SMILES [C@@]12(C(=CC([C@@](C2)(C)[H])=O)CCC[C@@]1(C(C)C)[H])[H]
SPLASH splash10-0229-0910000000-a00e01f92aa9d3f77a7e
Source of Spectrum F-39-445-0
Synonyms (3R,4aR,5R)-5-isopropyl-3-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone 3.alpha.-methyl-5.beta.H-6.beta.-isopropyl-1(10)-octalen-2-one
Wiley ID 1205068