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1-Methylhexyl dodecanoate
SpectraBase Compound ID GrpOIfsLjyx
InChI InChI=1S/C19H38O2/c1-4-6-8-9-10-11-12-13-15-17-19(20)21-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3
InChIKey GQDYTVZBBZKSIZ-UHFFFAOYSA-N
Mol Weight 298.5 g/mol
Molecular Formula C19H38O2
Exact Mass 298.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2X2WDrO5nU
Name 1-Methylhexyl dodecanoate
Alternate Name(s) Dodecanoic acid heptan-2-yl ester Heptan-2-yl dodecanoate Lauric acid 1-methylhexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H38O2
InChI InChI=1S/C19H38O2/c1-4-6-8-9-10-11-12-13-15-17-19(20)21-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3
InChIKey GQDYTVZBBZKSIZ-UHFFFAOYSA-N
Molecular Weight 298.511 g/mol
SMILES C(=O)(OC(CCCCC)C)CCCCCCCCCCC
SPLASH splash10-0kaj-9540000000-bcbeabac1f21dfd86340
Source of Spectrum LQ-1992-44-0
Wiley ID 1301446