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5,5,9-trimethyl-delta1(2)-trans-octalin
SpectraBase Compound ID J5y0gekCYUT
InChI InChI=1S/C13H22/c1-12(2)8-6-10-13(3)9-5-4-7-11(12)13/h5,9,11H,4,6-8,10H2,1-3H3/t11-,13-/m1/s1
InChIKey XDBOSKHITZDSSK-DGCLKSJQSA-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 B9eazaC5WXa
Name 5,5,9-trimethyl-delta1(2)-trans-octalin
Alternate Name(s) (4aR,8aS)-4,4,8a-trimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22
InChI InChI=1S/C13H22/c1-12(2)8-6-10-13(3)9-5-4-7-11(12)13/h5,9,11H,4,6-8,10H2,1-3H3/t11-,13-/m1/s1
InChIKey XDBOSKHITZDSSK-DGCLKSJQSA-N
Literature Reference DOI 10.1002/hlca.19730560425
Molecular Weight 178.319 g/mol
SMILES CC1(C)[C@]2(CCC=C[C@@]2(CCC1)C)[H]
SPLASH splash10-0bu3-8900000000-a5f0a2ab5a008e176e5b
Source of Spectrum H-56-1442-23a
Wiley ID 1797111