SpectraBase Spectrum ID |
Ku4eDrsdp2e |
Name |
Benzeneethanol, 3-(1-methoxy-2-butynyl)-4-(methoxymethyl)-2,6-dimethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.172544630 u |
Formula |
C17H24O3 |
InChI |
InChI=1S/C17H24O3/c1-6-7-16(20-5)17-13(3)15(8-9-18)12(2)10-14(17)11-19-4/h10,16,18H,8-9,11H2,1-5H3 |
InChIKey |
UFDNFMJTSXJVSN-UHFFFAOYSA-N |
SMILES |
C=1(C(=C(COC)C=C(C1CCO)C)C(C#CC)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864836 |