| SpectraBase Spectrum ID |
5VwWLgPZnRw |
| Name |
Acedoben |
| CAS Registry Number |
556-08-1 |
| Classification |
Pharmaceutical drug, immunomodulator |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
179.058243151 u |
| Formula |
C9H9NO3 |
| InChI |
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
| InChIKey |
QCXJEYYXVJIFCE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
179.175 g/mol |
| Nominal Mass |
179 u |
| Quality |
985 |
| Retention Index |
1661 |
| SMILES |
OC(C1=CC=C(NC(=O)C)C=C1)=O |
| SPLASH |
splash10-0076-7900000000-034c440c1bf437619d6d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(Acetylamino)benzenecarboxylic acid
PAAB
4-Acetamidobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010462 |
