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2-Butenoic acid, 2-methyl-4-(2,2,4-trimethyl-3-oxocyclohexyl)-, ethyl ester, [1R-[1R*(E)]]-
SpectraBase Compound ID L7HLtMaYHyC
InChI InChI=1S/C16H26O3/c1-6-19-15(18)12(3)8-10-13-9-7-11(2)14(17)16(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3/b12-8+/t11?,13-/m1/s1
InChIKey XQGIXIRDICYJLI-XZTNNRAYSA-N
Mol Weight 266.38 g/mol
Molecular Formula C16H26O3
Exact Mass 266.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 922FNyH6QBx
Name 2-Butenoic acid, 2-methyl-4-(2,2,4-trimethyl-3-oxocyclohexyl)-, ethyl ester, [1R-[1R*(E)]]-
Alternate Name(s) 2-Methyl-4-(1'R)-2',2',4'-trimethyl-3'-oxocyclohexyl)-2-butensaure-ethylester Ethyl (2E)-2-methyl-4-[(1R)-2,2,4-trimethyl-3-oxocyclohexyl]-2-butenoate
CAS Registry Number 108361-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O3
InChI InChI=1S/C16H26O3/c1-6-19-15(18)12(3)8-10-13-9-7-11(2)14(17)16(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3/b12-8+/t11?,13-/m1/s1
InChIKey XQGIXIRDICYJLI-XZTNNRAYSA-N
Molecular Weight 266.381 g/mol
SMILES C1(C(=O)C(C)CC[C@@]1(C\C=C\(C(=O)OCC)C)[H])(C)C
SPLASH splash10-014i-8910000000-1fe695c96a38b90bbd53
Source of Spectrum H-69-654-0
Wiley ID 1270364