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diethyl [{trans-2-acetyl-2,3-dihydrothiazolo[3,2-a]benzimidazol-3-yl}-1-methylethyl]phosphonate
SpectraBase Compound ID GhDnMdG84DY
InChI InChI=1S/C18H25N2O4PS/c1-6-23-25(22,24-7-2)18(4,5)16-15(12(3)21)26-17-19-13-10-8-9-11-14(13)20(16)17/h8-11,15-16H,6-7H2,1-5H3/t15-,16+/m1/s1
InChIKey JQQFLOOLIVTONT-CVEARBPZSA-N
Mol Weight 396.44 g/mol
Molecular Formula C18H25N2O4PS
Exact Mass 396.127265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQ7JpjnDacY
Name diethyl [{trans-2-acetyl-2,3-dihydrothiazolo[3,2-a]benzimidazol-3-yl}-1-methylethyl]phosphonate
Alternate Name(s) diethyl 1-[(2S,3R)-2-acetyl-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-yl]-1-methylethylphosphonate
CAS Registry Number 113250-28-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N2O4PS
InChI InChI=1S/C18H25N2O4PS/c1-6-23-25(22,24-7-2)18(4,5)16-15(12(3)21)26-17-19-13-10-8-9-11-14(13)20(16)17/h8-11,15-16H,6-7H2,1-5H3/t15-,16+/m1/s1
InChIKey JQQFLOOLIVTONT-CVEARBPZSA-N
Molecular Weight 396.442 g/mol
SMILES c12[n]([C@](C(P(=O)(OCC)OCC)(C)C)([C@](S2)(C(=O)C)[H])[H])c2ccccc2n1
SPLASH splash10-014i-0090000000-4f92a905b6c66ad7c7ae
Source of Spectrum K-121-985-5
Wiley ID 1367299