| SpectraBase Spectrum ID |
FRchPD3eWJN |
| Name |
2-Benzylidene-1-(1-hexenyl)benzocyclobuten-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.151415263 u |
| Formula |
C21H20O |
| InChI |
InChI=1S/C21H20O/c1-2-3-4-10-15-21(22)19-14-9-8-13-18(19)20(21)16-17-11-6-5-7-12-17/h5-9,11-14,16,22H,2-4H2,1H3/b20-16+ |
| InChIKey |
LTCQCQKXNVRDMR-CAPFRKAQSA-N |
| SMILES |
OC1(\C(C2=C1C=CC=C2)=C\C1=CC=CC=C1)C#CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83312 |
