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(5R,6S)-5,6-dimethylcyclohexa-1,3-diene
SpectraBase Compound ID AYkG1IDDszb
InChI InChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-8H,1-2H3/t7-,8+
InChIKey CJSMAFKHKCZRCX-OCAPTIKFSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLqvndPLOui
Name (5R,6S)-5,6-dimethylcyclohexa-1,3-diene
CAS Registry Number 765-86-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12
InChI InChI=1S/C8H12/c1-7-5-3-4-6-8(7)2/h3-8H,1-2H3/t7-,8+
InChIKey CJSMAFKHKCZRCX-OCAPTIKFSA-N
Molecular Weight 108.184 g/mol
SMILES C=1C=C[C@@]([C@@](C1)(C)[H])(C)[H]
SPLASH splash10-0006-9300000000-2c26dc7ee76c4916751f
Source of Spectrum O-10-1075-1
Wiley ID 1121937