| SpectraBase Compound ID | 2SCTx04ZxvI |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-3-8-14-11(12)9-4-6-10(13-2)7-5-9/h3-8H,1-2H3/b8-3- |
| InChIKey | IDIPKUGCJDYOND-BAQGIRSFSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 48RYR8hrNK |
|---|---|
| Name | (Z)-Prop-1-enyl 4-methoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-3-8-14-11(12)9-4-6-10(13-2)7-5-9/h3-8H,1-2H3/b8-3- |
| InChIKey | IDIPKUGCJDYOND-BAQGIRSFSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C=1C=C(C(O\C=C/C)=O)C=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806232 |