SpectraBase Compound ID | 8whyQjShaJD |
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InChI | InChI=1S/C14H22O5/c1-6-19-14(18-5)13(17-4)10-7-8-11(15-2)12(9-10)16-3/h7-9,13-14H,6H2,1-5H3 |
InChIKey | WBLUCXWAOXEWKV-UHFFFAOYSA-N |
Mol Weight | 270.32 g/mol |
Molecular Formula | C14H22O5 |
Exact Mass | 270.146724 g/mol |
SpectraBase Spectrum ID | 7uuXQNQFbRP |
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Name | 1,2-Dimethoxy-4-(1,2,3-trimethoxypropyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 270.146723803 u |
Formula | C14H22O5 |
InChI | InChI=1S/C14H22O5/c1-6-19-14(18-5)13(17-4)10-7-8-11(15-2)12(9-10)16-3/h7-9,13-14H,6H2,1-5H3 |
InChIKey | WBLUCXWAOXEWKV-UHFFFAOYSA-N |
SMILES | C1(=CC=C(C=C1OC)C(OC)C(OCC)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975871 |