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Tridecanedioic acid, 2-hexyl-, dimethyl ester
SpectraBase Compound ID 2d78NgCPzlB
InChI InChI=1S/C21H40O4/c1-4-5-6-13-16-19(21(23)25-3)17-14-11-9-7-8-10-12-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey AKCDUQGSIKCXRL-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 B1NFCEszGIi
Name Tridecanedioic acid, 2-hexyl-, dimethyl ester
CAS Registry Number 25751-93-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-4-5-6-13-16-19(21(23)25-3)17-14-11-9-7-8-10-12-15-18-20(22)24-2/h19H,4-18H2,1-3H3
InChIKey AKCDUQGSIKCXRL-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(C(CCCCCCCCCCC(OC)=O)CCCCCC)(OC)=O
SPLASH splash10-0a4u-9300000000-01aef54001b38e29e0ae
Source of Spectrum EP-6149-0-0
Synonyms Dimethyl 2-hexyltridecanedioate 2-Hexylbrassylic acid dimethyl ester 2-Hexyltridecanedioic acid dimethyl ester
Wiley ID 1345981