| SpectraBase Spectrum ID |
LVhzQvRYkkB |
| Name |
Dehydration product of 1-methoxy-2-{3'-(2'',3''-dihydroxypropoxy)-2'-hydroxy}propoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.115423675 u |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c1-16-12-5-2-3-6-13(12)18-8-4-7-17-10-11(15)9-14/h2-7,11,14-15H,8-10H2,1H3/b7-4+ |
| InChIKey |
MUOSFVAZOWTDNS-QPJJXVBHSA-N |
| Molecular Weight |
254.282 g/mol |
| SMILES |
C(O\C=C\COC1=C(OC)C=CC=C1)C(O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965697 |
