SpectraBase Spectrum ID |
CQ7JpjnDacY |
Name |
diethyl [{trans-2-acetyl-2,3-dihydrothiazolo[3,2-a]benzimidazol-3-yl}-1-methylethyl]phosphonate |
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 |
Synonyms |
diethyl 1-[(2S,3R)-2-acetyl-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-yl]-1-methylethylphosphonate |
Wiley ID |
1367299 |