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Doxylamine - metabolite I: pentafuoropropionyl derivatitive
SpectraBase Compound ID ANWTbWezdlS
InChI InChI=1S/C19H19F5N2O2/c1-17(14-8-4-3-5-9-14,15-10-6-7-11-25-15)28-13-12-26(2)16(27)18(20,21)19(22,23)24/h3-11H,12-13H2,1-2H3
InChIKey STULLKLAYVSGJM-UHFFFAOYSA-N
Mol Weight 402.37 g/mol
Molecular Formula C19H19F5N2O2
Exact Mass 402.136669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HzNufZA0W
Name Doxylamine - metabolite I: pentafuoropropionyl derivatitive
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19F5N2O2
InChI InChI=1S/C19H19F5N2O2/c1-17(14-8-4-3-5-9-14,15-10-6-7-11-25-15)28-13-12-26(2)16(27)18(20,21)19(22,23)24/h3-11H,12-13H2,1-2H3
InChIKey STULLKLAYVSGJM-UHFFFAOYSA-N
Molecular Weight 402.365 g/mol
SMILES C(C(N(CCOC(c1ncccc1)(c1ccccc1)C)C)=O)(C(F)(F)F)(F)F
SPLASH splash10-0uea-0930100000-9a540ecf9c37096bc58c
Source of Spectrum CJ-0-21-3474
Synonyms 2,2,3,3,3-pentafluoro-N-methyl-N-{2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethyl}propanamide
Wiley ID 1370227