| SpectraBase Spectrum ID |
GpFAVWGuzC7 |
| Name |
1-((2S*,3R*)-3-(3-(1-((4-nitrophenyl)sulfonyl)-1H-pyrrol-2-yl)propyl)oxiran-2-yl)ethan-1-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.088557476 u |
| Formula |
C17H18N2O6S |
| InChI |
InChI=1S/C17H18N2O6S/c1-12(20)17-16(25-17)6-2-4-13-5-3-11-18(13)26(23,24)15-9-7-14(8-10-15)19(21)22/h3,5,7-11,16-17H,2,4,6H2,1H3/t16-,17-/m1/s1 |
| InChIKey |
NEBGVDUOWMFRIV-IAGOWNOFSA-N |
| Instrument Name |
Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711439 |
| Molecular Weight |
378.399 g/mol |
| Quality |
126 |
| Reported Formula |
C17H18N2O6S |
| SMILES |
C([C@@]1([C@](O1)(CCCC1=CC=CN1S(C1=CC=C(C=C1)[N+]([O-])=O)(=O)=O)[H])[H])(=O)C |
| SPLASH |
splash10-02if-4590000000-27d863e4649c0cb98e68 |
| Source of Spectrum |
ACI-57-SM21-2e.3 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.28 (EtOAc/hexane, 20%) |
| Wiley ID |
1890676 |
