| SpectraBase Spectrum ID |
4maEfgySxc |
| Name |
3-Methyl-2-nitro-6-(prop-1-enyl)benzoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 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/h3-6H,1-2H3,(H,13,14) |
| InChIKey |
JPBSNXATCCJKEW-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 |
258 |
| Reported Formula |
C11H11NO4 |
| SMILES |
OC(C1=C(C(C)=CC=C1C=CC)[N+](=O)[O-])=O |
| SPLASH |
splash10-0g29-0920000000-18bd3f7ac5588c8cb473 |
| Sample Comments |
E/Z = 2.7:1 |
| Source of Spectrum |
ACI-57-SM15-4na (DOI: 10.1002/anie.201712520) |
| Wiley ID |
1893538 |
