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cis-4a,6,8-Trimethyloctalone isomer
SpectraBase Compound ID IFoFqTrzKgx
InChI InChI=1S/C13H20O/c1-9-7-10(2)12-11(14)5-4-6-13(12,3)8-9/h7,10,12H,4-6,8H2,1-3H3/t10-,12?,13-/m1/s1
InChIKey DTAGRUWROKQNCF-SJMSNRFBSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UIec52CiAk
Name cis-4a,6,8-Trimethyloctalone isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-9-7-10(2)12-11(14)5-4-6-13(12,3)8-9/h7,10,12H,4-6,8H2,1-3H3/t10-,12?,13-/m1/s1
InChIKey DTAGRUWROKQNCF-SJMSNRFBSA-N
Molecular Weight 192.302 g/mol
SMILES [C@]12(C([C@](C)(C=C(C2)C)[H])C(=O)CCC1)C
SPLASH splash10-0abc-3900000000-474984c91753ec21ed52
Source of Spectrum AT-32-6448-5
Synonyms (4aR,8R)-4a,6,8-Trimethyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-one
Wiley ID 836041