| SpectraBase Spectrum ID |
1JPiHepLCNs |
| Name |
1-((2S*,3R*)-3-(3-(1-Tosyl-1H-pyrrol-2-yl)propyl)oxiran-2-yl)ethan-1-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.119129330 u |
| Formula |
C18H21NO4S |
| InChI |
InChI=1S/C18H21NO4S/c1-13-8-10-16(11-9-13)24(21,22)19-12-4-6-15(19)5-3-7-17-18(23-17)14(2)20/h4,6,8-12,17-18H,3,5,7H2,1-2H3/t17-,18-/m1/s1 |
| InChIKey |
MJAOEZNJZDQCCS-QZTJIDSGSA-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 |
347.429 g/mol |
| Quality |
136 |
| Reported Formula |
C18H21NO4S |
| SMILES |
C([C@@]1([C@](O1)(CCCC1=CC=CN1S(C1=CC=C(C=C1)C)(=O)=O)[H])[H])(=O)C |
| SPLASH |
splash10-052f-5940000000-0bffe7ec07623fa0cef9 |
| Source of Spectrum |
ACI-57-SM20-2c.3 (DOI: 10.1002/anie.201711439) |
| Thin-Layer Chromatography |
0.42 (acetone/hexane, 30%) |
| Wiley ID |
1890669 |
