| SpectraBase Spectrum ID |
3YYp6D8XRxf |
| Name |
3-Iodobenzyl alcohol |
| CAS Registry Number |
57455-06-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
233.954159844 u |
| Formula |
C7H7IO |
| InChI |
InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey |
QGCCNWSXJHGUNL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.036 g/mol |
| Nominal Mass |
234 u |
| Quality |
985 |
| Retention Index |
1435 |
| SMILES |
OCC=1C=C(C=CC1)I |
| SPLASH |
splash10-0059-9130000000-becfe3ceb60884f3e5da |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzenemethanol,3-iodo
(3-Iodophenyl)methanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015618 |
