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Heptadecyl 2,3,4-trifluorobenzoate

View entire compound with spectra: 1 MS (GC)

Heptadecyl 2,3,4-trifluorobenzoate
SpectraBase Compound ID 5AAZNzj4f8i
InChI InChI=1S/C24H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-24(28)20-17-18-21(25)23(27)22(20)26/h17-18H,2-16,19H2,1H3
InChIKey SMJVZWLZZWQPMW-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C24H37F3O2
Exact Mass 414.274565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88UZuNU4IaE
Name Heptadecyl 2,3,4-trifluorobenzoate
Alternate Name(s) 2,3,4-Trifluorobenzoic acid, heptadecyl ester Heptadecyl 2,3,4-tris(fluoranyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H37F3O2
InChI InChI=1S/C24H37F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-24(28)20-17-18-21(25)23(27)22(20)26/h17-18H,2-16,19H2,1H3
InChIKey SMJVZWLZZWQPMW-UHFFFAOYSA-N
Molecular Weight 414.553 g/mol
SMILES C(CCCCCCCCCCCC)CCCCOC(=O)c1c(c(c(cc1)F)F)F
SPLASH splash10-0a4i-9400000000-22b4c70a0e7de987396e
Source of Spectrum NP-14-7575-0
Wiley ID 1111975