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Isobutyl stearate; stearic acid isobutyl ester

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Isobutyl stearate; stearic acid isobutyl ester
SpectraBase Compound ID CudU1L5Ey1x
InChI InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3
InChIKey ORFWYUFLWUWSFM-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1loLWtAFArx
Name Octadecanoic acid, 2-methylpropyl ester
Alternate Name(s) 2-Methylpropyl octadecanoate Isobutyl octadecanoate Isobutyl stearate Kessco IBS stearic acid isobutyl ester Stearic acid, 2-methylpropyl ester Uniflex IBYS BRN 1792857 EINECS 211-466-1 EMEREST 2324 ESTOL 1476 HSDB 2177 KEMESTER 5415
CAS Registry Number 646-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3
InChIKey ORFWYUFLWUWSFM-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES C(CC(OCC(C)C)=O)CCCCCCCCCCCCCCC
SPLASH splash10-0a4l-9110000000-37f71224fc738e7c92fa
Source of Spectrum W5-30303-0-0
Wiley ID 1335593