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5,5,9-trimethyl-delta2(3)-trans-octalin
SpectraBase Compound ID 2CiBOo1jUi4
InChI InChI=1S/C13H22/c1-12(2)8-6-10-13(3)9-5-4-7-11(12)13/h4-5,11H,6-10H2,1-3H3/t11-,13-/m1/s1
InChIKey MAOYLKUPMNTKDA-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 G6xCpzupI7k
Name 5,5,9-trimethyl-delta2(3)-trans-octalin
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/h4-5,11H,6-10H2,1-3H3/t11-,13-/m1/s1
InChIKey MAOYLKUPMNTKDA-DGCLKSJQSA-N
Literature Reference DOI 10.1002/hlca.19730560425
Molecular Weight 178.319 g/mol
SMILES C1(C)(C)[C@]2(CC=CC[C@@]2(CCC1)C)[H]
SPLASH splash10-0ab9-5900000000-f41c268508dfb5bc91ae
Source of Spectrum H-56-1443-25a
Synonyms (4aS,8aR)-1,1,4a-trimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
Wiley ID 1797113