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Benzyl (2S,3S,5S)-5-Hydroxymethyl-2-[2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-3-(difluoromethyl)pyrrolidine-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Benzyl (2S,3S,5S)-5-Hydroxymethyl-2-[2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
SpectraBase Compound ID 5G1zPZCORce
InChI InChI=1S/C18H19F2N3O5/c19-15(20)13-8-12(9-24)23(16(13)22-7-6-14(25)21-17(22)26)18(27)28-10-11-4-2-1-3-5-11/h1-7,12-13,15-16,24H,8-10H2,(H,21,25,26)/t12-,13+,16-/m0/s1
InChIKey XNRUYPSAYNXGHD-ZENOOKHLSA-N
Mol Weight 395.36 g/mol
Molecular Formula C18H19F2N3O5
Exact Mass 395.129277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUYmIlrNF0o
Name Benzyl (2S,3S,5S)-5-Hydroxymethyl-2-[2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]-3-(difluoromethyl)pyrrolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F2N3O5
InChI InChI=1S/C18H19F2N3O5/c19-15(20)13-8-12(9-24)23(16(13)22-7-6-14(25)21-17(22)26)18(27)28-10-11-4-2-1-3-5-11/h1-7,12-13,15-16,24H,8-10H2,(H,21,25,26)/t12-,13+,16-/m0/s1
InChIKey XNRUYPSAYNXGHD-ZENOOKHLSA-N
Molecular Weight 395.363 g/mol
SMILES OC[C@]1(N([C@](N2C(NC(C=C2)=O)=O)([C@](C1)(C(F)F)[H])[H])C(=O)OCc1ccccc1)[H]
SPLASH splash10-0006-9020000000-18f2a092a7ba7137787c
Source of Spectrum C5-2004-340-19
Synonyms benzyl (2S,3S,5S)-3-(difluoromethyl)-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-5-(hydroxymethyl)-1-pyrrolidinecarboxylate
Wiley ID 1616527