| SpectraBase Compound ID | 87Y5GXjm4rc |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | NJVMQLXTCKOYLY-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ELRJrzJanf5 |
|---|---|
| Name | Ethanone, 1-(3-propoxyphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-3-7-13-11-6-4-5-10(8-11)9(2)12/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | NJVMQLXTCKOYLY-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(=CC(=CC=C1)OCCC)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.897024 |