| SpectraBase Spectrum ID |
JHX5NjHg6Ea |
| Name |
4-Nitrophenol |
| CAS Registry Number |
100-02-7 |
| Classification |
Pesticide precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
139.026943022 u |
| Formula |
C6H5NO3 |
| InChI |
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
| InChIKey |
BTJIUGUIPKRLHP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
139.110 g/mol |
| Nominal Mass |
139 u |
| Quality |
809 |
| Retention Index |
1071 |
| SMILES |
OC1=CC=C([N+](=O)[O-])C=C1 |
| SPLASH |
splash10-000i-5900000000-0b535cb858f1f03a0d11 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Niphen
p-Nitrophenol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009215 |
