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(1S,2R,4R)-1,2,4-trimethylcyclohexane
SpectraBase Compound ID 5BvSkTiSKjf
InChI InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKey VCJPCEVERINRSG-HRDYMLBCSA-N
Mol Weight 126.24 g/mol
Molecular Formula C9H18
Exact Mass 126.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kpUxmjnHPu
Name (1S,2R,4R)-1,2,4-trimethylcyclohexane
Alternate Name(s) cis-1,2,4-Trimethylcyclohexane
CAS Registry Number 1678-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18
InChI InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1
InChIKey VCJPCEVERINRSG-HRDYMLBCSA-N
Molecular Weight 126.243 g/mol
SMILES [C@@]1(C[C@](C)(CC[C@@]1(C)[H])[H])(C)[H]
SPLASH splash10-0929-9600000000-12a69d1da52a474d4f94
Source of Spectrum O-20-87-5
Wiley ID 1130467