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Dodecanoic acid, isooctyl ester
SpectraBase Compound ID Lu4syIfaI9D
InChI InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-18-20(21)22-19(16-6-3)17-8-5-2/h19H,4-18H2,1-3H3
InChIKey DUWYUSJOTYPYQG-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pBakFrNyBz
Name Dodecanoic acid, isooctyl ester
Alternate Name(s) Laurinsaeure, 4-octylester 1-Propylpentyl dodecanoate 1-Propylpentyl laurate Dodecanoic acid octan-4-yl ester Lauric acid 1-propylpentyl ester Octan-4-yl dodecanoate
CAS Registry Number 84713-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-7-9-10-11-12-13-14-15-18-20(21)22-19(16-6-3)17-8-5-2/h19H,4-18H2,1-3H3
InChIKey DUWYUSJOTYPYQG-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(CC(OC(CCCCCCCCCCC)=O)CCCC)C
SPLASH splash10-059x-9200000000-20a7cdc088ceca20e37d
Source of Spectrum CM-1999-27434-0
Wiley ID 489788