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[1R,4aS,8aS] - 1,2,3,4,4a,7,8,8a - octahydro - 1,4a,6 - trimethyl - naphthalene (so Anderson)
SpectraBase Compound ID 1CwAJRdOwrr
InChI InChI=1S/C13H22/c1-10-6-7-12-11(2)5-4-8-13(12,3)9-10/h9,11-12H,4-8H2,1-3H3/t11-,12+,13-/m1/s1
InChIKey AWRODFUWOUCXQQ-FRRDWIJNSA-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 9S7g3wE6QAD
Name [1R,4aS,8aS] - 1,2,3,4,4a,7,8,8a - octahydro - 1,4a,6 - trimethyl - naphthalene (so Anderson)
Alternate Name(s) (4R,4aS,8aS)-4,7,8a-trimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CAS Registry Number 173831-86-2
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/h9,11-12H,4-8H2,1-3H3/t11-,12+,13-/m1/s1
InChIKey AWRODFUWOUCXQQ-FRRDWIJNSA-N
Molecular Weight 178.319 g/mol
SMILES [C@@]12(C=C(C)CC[C@]2([C@](C)(CCC1)[H])[H])C
SPLASH splash10-0563-9500000000-70c3c14b600183d5e73e
Source of Spectrum Va-0-0-0
Wiley ID 740026