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2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3-methyl-5-(1-methylethyl)-, (3.alpha.,4a.beta.,5.beta.)-(.+-.)-
SpectraBase Compound ID 855Lne8da68
InChI InChI=1S/C14H22O/c1-9(2)12-6-4-5-11-8-14(15)10(3)7-13(11)12/h5,9-10,12-13H,4,6-8H2,1-3H3/t10-,12-,13+/m1/s1
InChIKey XONJNJXKUPOHMH-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 KL2yr9EE1LN
Name 2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3-methyl-5-(1-methylethyl)-, (3.alpha.,4a.beta.,5.beta.)-(.+-.)-
CAS Registry Number 86000-79-5
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/h5,9-10,12-13H,4,6-8H2,1-3H3/t10-,12-,13+/m1/s1
InChIKey XONJNJXKUPOHMH-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 splash10-0002-9300000000-55e7e409cc959c121403
Source of Spectrum F-39-446-0
Synonyms (3R,4aR,5R)-5-isopropyl-3-methyl-3,4,4a,5,6,7-hexahydro-2(1H)-naphthalenone 3-Methyl-5.beta.H-6.beta.-isopropyl-9(10).beta.-epoxy-2-octalene 3.alpha.-methyl-5.beta.H-6.beta.-isopropyl-9-octalen-2-one
Wiley ID 1205066