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cis-tert-butyl-4-diethoxyphosphoryl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-thioxo-imidazolidine-1-carboxylate
SpectraBase Compound ID GBXNtcvXeRe
InChI InChI=1S/C18H27N2O5PS/c1-6-23-26(22,24-7-2)15-14(13-11-9-8-10-12-13)20(16(27)19-15)17(21)25-18(3,4)5/h8-12,14-15H,6-7H2,1-5H3,(H,19,27)/t14-,15+/m0/s1/i8D,9D,10D,11D,12D
InChIKey SBOMGPZJDOWBRA-NZUILWAUSA-N
Mol Weight 419.49 g/mol
Molecular Formula C18H22D5N2O5PS
Exact Mass 419.169214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTBskF6Id5R
Name cis-tert-butyl-4-diethoxyphosphoryl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-thioxo-imidazolidine-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22D5N2O5PS
InChI InChI=1S/C18H27N2O5PS/c1-6-23-26(22,24-7-2)15-14(13-11-9-8-10-12-13)20(16(27)19-15)17(21)25-18(3,4)5/h8-12,14-15H,6-7H2,1-5H3,(H,19,27)/t14-,15+/m0/s1/i8D,9D,10D,11D,12D
InChIKey SBOMGPZJDOWBRA-NZUILWAUSA-N
Molecular Weight 419.487 g/mol
SMILES N1C(N([C@]([C@]1(P(OCC)(OCC)=O)[H])(c1c(c(c(c(c1[D])[D])[D])[D])[D])[H])C(OC(C)(C)C)=O)=S
SPLASH splash10-00lr-0904000000-7282513669f6cd9a309a
Source of Spectrum RCM-24-2325-cis_9
Synonyms tert-Butyl (4R,5S)-4-(diethoxyphosphoryl)-5-(phenyl-d5)-2-thioxoimidazolidine-1-carboxylate
Wiley ID 1814646