| SpectraBase Spectrum ID |
AQRbKNppJO9 |
| Name |
2-Allyl-5-methyl-6-nitrobenzoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c1-3-4-8-6-5-7(2)10(12(15)16)9(8)11(13)14/h3,5-6H,1,4H2,2H3,(H,13,14) |
| InChIKey |
MBXCOBCARAABFK-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier CAB163 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/anie.201712520 |
| Molecular Weight |
221.212 g/mol |
| Quality |
141 |
| SMILES |
OC(C1=C(CC=C)C=CC(=C1[N+](=O)[O-])C)=O |
| SPLASH |
splash10-0fvi-0920000000-06aa791e23a49d3583e1 |
| Source of Spectrum |
ACI-57-SM13-3pa (DOI: 10.1002/anie.201712520) |
| Wiley ID |
1893532 |
