| SpectraBase Spectrum ID |
JGop8k5Ss40 |
| Name |
o-Iodobenzoic acid |
| CAS Registry Number |
88-67-5 |
| 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 |
247.933424399 u |
| Formula |
C7H5IO2 |
| InChI |
InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
| InChIKey |
CJNZAXGUTKBIHP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
248.019 g/mol |
| Nominal Mass |
248 u |
| Quality |
995 |
| Retention Index |
1485 |
| SMILES |
OC(C1=C(C=CC=C1)I)=O |
| SPLASH |
splash10-000t-7190000000-9c718b32433aec1eed13 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Iodobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004313 |
