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Doxylamine - metabolite II : pentafuoropropionyl derivatitive

View entire compound with spectra: 1 MS (GC)

Doxylamine - metabolite II : pentafuoropropionyl derivatitive
SpectraBase Compound ID APiQiAm4Hhe
InChI InChI=1S/C18H17F5N2O2/c1-16(13-7-3-2-4-8-13,14-9-5-6-10-24-14)27-12-11-25-15(26)17(19,20)18(21,22)23/h2-10H,11-12H2,1H3,(H,25,26)
InChIKey QOEXQQBTWBBITP-UHFFFAOYSA-N
Mol Weight 388.34 g/mol
Molecular Formula C18H17F5N2O2
Exact Mass 388.121019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLfTfvg3g4S
Name Doxylamine - metabolite II : pentafuoropropionyl derivatitive
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F5N2O2
InChI InChI=1S/C18H17F5N2O2/c1-16(13-7-3-2-4-8-13,14-9-5-6-10-24-14)27-12-11-25-15(26)17(19,20)18(21,22)23/h2-10H,11-12H2,1H3,(H,25,26)
InChIKey QOEXQQBTWBBITP-UHFFFAOYSA-N
Molecular Weight 388.338 g/mol
SMILES N(C(C(C(F)(F)F)(F)F)=O)CCOC(c1ncccc1)(c1ccccc1)C
SPLASH splash10-001m-0900000000-9de688ca4a01a06a2153
Source of Spectrum CJ-0-21-3475
Wiley ID 1362460