| SpectraBase Spectrum ID |
7N178xfxT2I |
| Name |
E-2,6-Dimethyl-8-(4-methoxyphenoxy)-5-acetoxy-6-octen-3-yne-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.162373868 u |
| Formula |
C19H24O5 |
| InChI |
InChI=1S/C19H24O5/c1-14(18(24-15(2)20)10-12-19(3,4)21)11-13-23-17-8-6-16(22-5)7-9-17/h6-9,11,18,21H,13H2,1-5H3/b14-11+ |
| InChIKey |
QDNMJRLBKLAKKX-SDNWHVSQSA-N |
| Molecular Weight |
332.396 g/mol |
| SMILES |
C(#CC(O)(C)C)C(\C(=C\COC=1C=CC(=CC1)OC)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816564 |
