| SpectraBase Spectrum ID |
2klSarr4B16 |
| Name |
Isoproturon-A (-C2H7N) |
| CAS Registry Number |
31027-31-3 |
| Classification |
Herbicide precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
161.084063977 u |
| Formula |
C10H11NO |
| InChI |
InChI=1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3 |
| InChIKey |
PJVRNNRZWASOIT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
161.204 g/mol |
| Nominal Mass |
161 u |
| Quality |
978 |
| Retention Index |
1213 |
| SMILES |
C=1(C=CC(=CC1)N=C=O)C(C)C |
| SPLASH |
splash10-0002-2900000000-7907394221832ad53553 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-IsopropylphenylisocyanateI
Phenamacide
p-Isopropylphenyl isocyanate
1-Isocyanato-4-propan-2-ylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011934 |
