| SpectraBase Compound ID | 5dSswIXlziC |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3 |
| InChIKey | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CoYoivE3pVW |
|---|---|
| Name | BENZOIC ACID, 2-NITRO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3 |
| InChIKey | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
| Molecular Weight | 181.0373 |
| SMILES | c1(N(=O)=O)ccccc1C(OC)=O |
| SPLASH | splash10-0ufr-9400000000-3e1ae28881766dbbe5e1 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |