| SpectraBase Compound ID | GGnCq2AcvVY |
|---|---|
| InChI | InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| InChIKey | HVUISGPOCMQVNR-UHFFFAOYSA-N |
| Mol Weight | 197.21 g/mol |
| Molecular Formula | C8H7NO3S |
| Exact Mass | 197.014664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 21SzGQNZRLN |
|---|---|
| Name | BENZENECARBOTHIOIC ACID, 4-NITRO-, S-METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7NO3S |
| InChI | InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
| InChIKey | HVUISGPOCMQVNR-UHFFFAOYSA-N |
| Molecular Weight | 197.0145 |
| SMILES | c1(N(=O)=O)ccc(C(SC)=O)cc1 |
| SPLASH | splash10-0udi-4900000000-e078e6cecd5c2506ba91 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |