| SpectraBase Spectrum ID |
97NxEn1kZ3I |
| Name |
Eutypine;4-hydroxy-3-(3-methylbut-3-en-1-ynyl)-benzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.068079560 u |
| Formula |
C12H10O2 |
| InChI |
InChI=1S/C12H10O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h4,6-8,14H,1H2,2H3 |
| InChIKey |
SFCYVTIQMNZUCZ-UHFFFAOYSA-N |
| Molecular Weight |
186.210 g/mol |
| SMILES |
C(=O)C1=CC(=C(O)C=C1)C#CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925332 |
