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cis-5-Methyl-2-cyclohexenyl mesitoate
SpectraBase Compound ID ElMYEzmYxVB
InChI InChI=1S/C17H22O2/c1-11-6-5-7-15(10-11)19-17(18)16-13(3)8-12(2)9-14(16)4/h5,7-9,11,15H,6,10H2,1-4H3/t11-,15+/m1/s1
InChIKey YHJXTZKNADJZGQ-ABAIWWIYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6BUBChxUpV
Name cis-5-Methyl-2-cyclohexenyl mesitoate
CAS Registry Number 76807-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-11-6-5-7-15(10-11)19-17(18)16-13(3)8-12(2)9-14(16)4/h5,7-9,11,15H,6,10H2,1-4H3/t11-,15+/m1/s1
InChIKey YHJXTZKNADJZGQ-ABAIWWIYSA-N
Molecular Weight 258.361 g/mol
SMILES C(c1c(cc(cc1C)C)C)(O[C@]1(C=CC[C@](C1)(C)[H])[H])=O
SPLASH splash10-002e-9200000000-d37a51930c48f9935ba7
Source of Spectrum J-46-2147-0
Synonyms (1R,5R)-5-methyl-2-cyclohexen-1-yl 2,4,6-trimethylbenzoate
Wiley ID 1262156