| SpectraBase Spectrum ID |
F9WAFwqI7sF |
| Name |
(4Balpha,5beta,9beta,9aalpha)-4B,9,9A,10-tetrahydro-5,9-ethenobenz(A)azulen-8(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.104465070 u |
| Formula |
C16H14O |
| InChI |
InChI=1S/C16H14O/c17-15-8-6-10-5-7-13(15)14-9-11-3-1-2-4-12(11)16(10)14/h1-8,10,13-14,16H,9H2 |
| InChIKey |
ZDCQTKYNFRUFTK-UHFFFAOYSA-N |
| Molecular Weight |
222.287 g/mol |
| SMILES |
C1=CC=CC2=C1CC1C2C2C=CC(=O)C1C=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931812 |
