| SpectraBase Spectrum ID |
8K0ab3gQUBk |
| Name |
4-Methylbenzenesulfonyl isocyanate |
| CAS Registry Number |
4083-64-1 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
197.014664260 u |
| Formula |
C8H7NO3S |
| InChI |
InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3 |
| InChIKey |
VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
197.208 g/mol |
| Nominal Mass |
197 u |
| Quality |
955 |
| Retention Index |
1432 |
| SMILES |
C=1(S(N=C=O)(=O)=O)C=CC(=CC1)C |
| SPLASH |
splash10-0006-9200000000-658ed2505ab95d5af47a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylbenzene-1-sulfonoyl isocyanate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002091 |
