SpectraBase Compound ID | DLtIoPPfQ8U |
---|---|
InChI | InChI=1S/C12H18O3/c1-13-8-4-5-10-6-7-11(14-2)12(9-10)15-3/h6-7,9H,4-5,8H2,1-3H3 |
InChIKey | UBTWFZLQOTVDKJ-UHFFFAOYSA-N |
Mol Weight | 210.27 g/mol |
Molecular Formula | C12H18O3 |
Exact Mass | 210.125594 g/mol |
SpectraBase Spectrum ID | 8QM10sMlB3X |
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Name | 1,2-Dimethoxy-4-(3-methoxypropyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 210.125594437 u |
Formula | C12H18O3 |
InChI | InChI=1S/C12H18O3/c1-13-8-4-5-10-6-7-11(14-2)12(9-10)15-3/h6-7,9H,4-5,8H2,1-3H3 |
InChIKey | UBTWFZLQOTVDKJ-UHFFFAOYSA-N |
Molecular Weight | 210.273 g/mol |
SMILES | C1(=CC=C(C=C1OC)CCCOC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952116 |