| SpectraBase Spectrum ID |
8HLk8gGZ1UG |
| Name |
4-Nitroanisole |
| CAS Registry Number |
100-17-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
153.042593086 u |
| Formula |
C7H7NO3 |
| InChI |
InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey |
BNUHAJGCKIQFGE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
153.137 g/mol |
| Nominal Mass |
153 u |
| Quality |
820 |
| Retention Index |
1171 |
| SMILES |
C=1([N+](=O)[O-])C=CC(=CC1)OC |
| SPLASH |
splash10-0itc-9400000000-ce36a54765cdf2f1d746 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Nitroanisole
p-Nitroanisol
1-Methoxy-4-nitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009213 |
