| SpectraBase Spectrum ID |
7dSUpXcwuy5 |
| Name |
Methyl -6-[1-(phenylsulfonyl)-1H-pyrrol-3-yl)-2-hexenoate isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19NO4S |
| InChI |
InChI=1S/C17H19NO4S/c1-22-17(19)11-7-2-4-8-15-12-13-18(14-15)23(20,21)16-9-5-3-6-10-16/h3,5-7,9-14H,2,4,8H2,1H3/b11-7+ |
| InChIKey |
YQXORKCJVVOMCK-YRNVUSSQSA-N |
| Molecular Weight |
333.402 g/mol |
| SMILES |
c1[n](S(=O)(=O)c2ccccc2)ccc1CCC\C=C\C(=O)OC |
| SPLASH |
splash10-004i-9000000000-9ddf7a5fe9e49a8444ac |
| Source of Spectrum |
E1-39-2835-8 |
| Synonyms |
methyl (2E)-6-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-hexenoate |
| Wiley ID |
1519173 |
