| SpectraBase Spectrum ID |
B0UGaXPnW9f |
| Name |
5-NITRO-ISOPHTHALIC ACID |
| CAS Registry Number |
618-88-2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
211.011686879 u |
| Formula |
C8H5NO6 |
| InChI |
InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13) |
| InChIKey |
NBDAHKQJXVLAID-UHFFFAOYSA-N |
| Molecular Weight |
211.129 g/mol |
| Nominal Mass |
211 u |
| Number of Peaks |
68 |
| SMILES |
OC(c1cc(cc(C(O)=O)c1)[N+]([O-])=O)=O |
| SPLASH |
splash10-03yi-9430000000-9f25bd7f2aea9646c492 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
5-nitroisophthalic acid |
| Technique |
DI/MS |
| Wiley ID |
WID_MSPA_4333 |
