| SpectraBase Spectrum ID |
BQWCQNJoFCx |
| Name |
(2S)-2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl 4-methylbenzenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.082743820 u |
| Formula |
C18H17NO5S |
| InChI |
InChI=1S/C18H17NO5S/c1-12-7-9-14(10-8-12)25(22,23)24-11-13(2)19-17(20)15-5-3-4-6-16(15)18(19)21/h3-10,13H,11H2,1-2H3/t13-/m0/s1 |
| InChIKey |
NQQWBOYKFRRXER-ZDUSSCGKSA-N |
| Molecular Weight |
359.396 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)[C@](COS(C1=CC=C(C=C1)C)(=O)=O)(C)[H])=O |
