| SpectraBase Compound ID | 7KDa9OTg1Hk |
|---|---|
| InChI | InChI=1S/C11H14ClNO2/c1-9(12)7-8-15-11(14)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14) |
| InChIKey | IUSLTXDSHBRJST-UHFFFAOYSA-N |
| Mol Weight | 227.69 g/mol |
| Molecular Formula | C11H14ClNO2 |
| Exact Mass | 227.071306 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GM5OFnGoDOu |
|---|---|
| Name | 3-Chloro-1-butanol, carbanilate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.071306393 u |
| Formula | C11H14ClNO2 |
| InChI | InChI=1S/C11H14ClNO2/c1-9(12)7-8-15-11(14)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14) |
| InChIKey | IUSLTXDSHBRJST-UHFFFAOYSA-N |
| Molecular Weight | 227.691 g/mol |
| SMILES | N(C1=CC=CC=C1)C(OCCC(C)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.817433 |