| SpectraBase Spectrum ID |
6XWtwuCjDYd |
| Name |
4-Nitrobenzoyl chloride |
| CAS Registry Number |
122-04-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
184.987970690 u |
| Formula |
C7H4ClNO3 |
| InChI |
InChI=1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H |
| InChIKey |
SKDHHIUENRGTHK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
185.566 g/mol |
| Nominal Mass |
185 u |
| Quality |
983 |
| Retention Index |
1375 |
| SMILES |
C=1([N+](=O)[O-])C=CC(C(Cl)=O)=CC1 |
| SPLASH |
splash10-0udi-7900000000-253143ca317651e19a69 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoyl chloride,3-nitro- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026543 |
