| SpectraBase Spectrum ID |
5VP3CosgC5f |
| Name |
3-chloropropyl 4-methylbenzenesulfonate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.027393150 u |
| Formula |
C10H13ClO3S |
| InChI |
InChI=1S/C10H13ClO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3 |
| InChIKey |
NQCQVNHLNXCSPY-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202203807 |
| Molecular Weight |
248.724 g/mol |
| Quality |
151 |
| Reported Formula |
C10H13ClO3S |
| SMILES |
C1(=CC=C(C=C1)C)S(OCCCCl)(=O)=O |
| SPLASH |
splash10-05fu-3900000000-a821bfb74182de0f3c52 |
| Source of Spectrum |
ACI-61-SM24-12o (DOI: 10.1002/anie.202203807) |
| Wiley ID |
1897819 |
