| SpectraBase Compound ID | 92MyuETxzx9 |
|---|---|
| InChI | InChI=1S/C11H17NS/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h5-7,9H,2-4,8,12H2,1H3 |
| InChIKey | DVTPJWDTVVRYSA-UHFFFAOYSA-N |
| Mol Weight | 195.32 g/mol |
| Molecular Formula | C11H17NS |
| Exact Mass | 195.108171 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AqbzHRsYmvO |
|---|---|
| Name | m-(Pentylthio)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.108170725 u |
| Formula | C11H17NS |
| InChI | InChI=1S/C11H17NS/c1-2-3-4-8-13-11-7-5-6-10(12)9-11/h5-7,9H,2-4,8,12H2,1H3 |
| InChIKey | DVTPJWDTVVRYSA-UHFFFAOYSA-N |
| Molecular Weight | 195.324 g/mol |
| SMILES | NC1=CC(=CC=C1)SCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.747875 |