| SpectraBase Spectrum ID |
5Vatzr43UcC |
| Name |
3-Nitrobiphenyl |
| CAS Registry Number |
2113-58-8 |
| 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 |
199.063328532 u |
| Formula |
C12H9NO2 |
| InChI |
InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| InChIKey |
FYRPEHRWMVMHQM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
199.209 g/mol |
| Nominal Mass |
199 u |
| Quality |
953 |
| Retention Index |
1563 |
| SMILES |
C1(C2=CC=CC=C2)=CC([N+](=O)[O-])=CC=C1 |
| SPLASH |
splash10-0udj-1900000000-544d8bf33bbb9968b821 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Nitro-3-phenyl-benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003240 |
