SpectraBase Compound ID | Fm7I7rPU0pu |
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InChI | InChI=1S/C11H14O2/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-5,7-8H,1,6H2,2-3H3 |
InChIKey | FQXWJEKXPIMZAP-UHFFFAOYSA-N |
Mol Weight | 178.23 g/mol |
Molecular Formula | C11H14O2 |
Exact Mass | 178.09938 g/mol |
SpectraBase Spectrum ID | DYPEnYOIsHa |
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Name | Benzene, 1,3-dimethoxy-2-(2-propenyl)- |
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/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-5,7-8H,1,6H2,2-3H3 |
InChIKey | FQXWJEKXPIMZAP-UHFFFAOYSA-N |
Molecular Weight | 178.231 g/mol |
SMILES | C=1(C(OC)=CC=CC1OC)CC=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90677 |