| SpectraBase Spectrum ID |
G3jqaNtYhVN |
| Name |
5-NITRO-ISO-PHTHALIC ACID MONOMETHYLESTER |
| CAS Registry Number |
1955-46-0 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
225.027336943 u |
| Formula |
C9H7NO6 |
| InChI |
InChI=1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12) |
| InChIKey |
ZCRNIIJXDRYWDU-UHFFFAOYSA-N |
| Molecular Weight |
225.156 g/mol |
| Nominal Mass |
225 u |
| Number of Peaks |
73 |
| SMILES |
OC(c1cc(cc(c1)C(OC)=O)[N+]([O-])=O)=O |
| SPLASH |
splash10-0006-2910000000-aac66643e8c6c6ccff60 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
3-(methoxycarbonyl)-5-nitrobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4285 |
