| SpectraBase Compound ID | 2OIS3K9w9zB |
|---|---|
| InChI | InChI=1S/C14H19ClO3/c1-5-18-14(16)10(3)13(15)11-8-9(2)6-7-12(11)17-4/h6-8,10,13H,5H2,1-4H3/t10-,13+/m1/s1 InChI=1S/C14H19ClO3/c1-5-18-14(16)10(3)13(15)11-8-9(2)6-7-12(11)17-4/h6-8,10,13H,5H2,1-4H3/t10-,13+/m0/s1 |
| InChIKey | ZFZGZXNVORCHCP-MFKMUULPSA-N |
| Mol Weight | 270.76 g/mol |
| Molecular Formula | C14H19ClO3 |
| Exact Mass | 270.102272 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 24Uy79eC0KG |
|---|---|
| Name | dl-Erythro-beta-chloro-alpha,5-dimethyl-2-methoxyhydrocinnamic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.102272169 u |
| Formula | C14H19ClO3 |
| InChI | InChI=1S/C14H19ClO3/c1-5-18-14(16)10(3)13(15)11-8-9(2)6-7-12(11)17-4/h6-8,10,13H,5H2,1-4H3/t10-,13+/m1/s1 |
| InChIKey | ZFZGZXNVORCHCP-MFKMUULPSA-N |
| SMILES | C=1C(=C(C=CC1C)OC)[C@]([C@](C(OCC)=O)(C)[H])(Cl)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.838297 |