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[1S - (1.alpha.,4a.beta.,8a.beta.)] -1,2,3,4,4a,5,8,8a - octahydro - 1,4a,6 - trimethyl - naphthalene (so CAS)
SpectraBase Compound ID BDLNtUQMtww
InChI InChI=1S/C13H22/c1-10-6-7-12-11(2)5-4-8-13(12,3)9-10/h6,11-12H,4-5,7-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKey DGXDVMKLMCMMFZ-AVGNSLFASA-N
Mol Weight 178.32 g/mol
Molecular Formula C13H22
Exact Mass 178.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBN2ZqPlqXo
Name [1S - (1.alpha.,4a.beta.,8a.beta.)] -1,2,3,4,4a,5,8,8a - octahydro - 1,4a,6 - trimethyl - naphthalene (so CAS)
CAS Registry Number 173104-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22
InChI InChI=1S/C13H22/c1-10-6-7-12-11(2)5-4-8-13(12,3)9-10/h6,11-12H,4-5,7-9H2,1-3H3/t11-,12-,13-/m0/s1
InChIKey DGXDVMKLMCMMFZ-AVGNSLFASA-N
Molecular Weight 178.319 g/mol
SMILES [C@@]12([C@@](CC=C(C2)C)([C@@](C)(CCC1)[H])[H])C
SPLASH splash10-06ry-9400000000-0a598fcf8b35e0e33de7
Source of Spectrum Va-0-0-0
Synonyms (1S,4aS,8aS)-1,4a,6-trimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
Wiley ID 740029