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Dimethyl 2-octylundecanedioate
SpectraBase Compound ID GNVUkJMAW9Y
InChI InChI=1S/C21H40O4/c1-4-5-6-7-10-13-16-19(21(23)25-3)17-14-11-8-9-12-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey TVILEIOKWLFGME-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Z7uh6PjYwb
Name Dimethyl 2-octylundecanedioate
CAS Registry Number 6858-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-4-5-6-7-10-13-16-19(21(23)25-3)17-14-11-8-9-12-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey TVILEIOKWLFGME-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(CCC(OC)=O)CCCCCC(C(OC)=O)CCCCCCCC
SPLASH splash10-052v-9410000000-4e318bd362cc8b4223a9
Source of Spectrum NP-12-9791-0
Synonyms Dimethyl 2-octylundecane-1,11-dioate
Wiley ID 1110711