SpectraBase Compound ID | ELd44TLMyh4 |
---|---|
InChI | InChI=1S/C10H12O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6-8H,3,5H2,1H3 |
InChIKey | XPSGIRHXVDIZJN-UHFFFAOYSA-N |
Mol Weight | 164.2 g/mol |
Molecular Formula | C10H12O2 |
Exact Mass | 164.08373 g/mol |
SpectraBase Spectrum ID | 2eVCA9noAeo |
---|---|
Name | 3-(3-Methoxyphenyl)propanal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 164.083729624 u |
Formula | C10H12O2 |
InChI | InChI=1S/C10H12O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6-8H,3,5H2,1H3 |
InChIKey | XPSGIRHXVDIZJN-UHFFFAOYSA-N |
Molecular Weight | 164.204 g/mol |
SMILES | C(CCC=1C=C(C=CC1)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942902 |