| SpectraBase Spectrum ID |
IYBy247hh7B |
| Name |
4A,7-Ethano-4ah-benzocyclohepten-2(1H)-one, 3,4,7,8-tetrahydro-1,1,7-trimethyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.167065327 u |
| Formula |
C16H22O |
| InChI |
InChI=1S/C16H22O/c1-14(2)12-4-6-15(3)8-10-16(12,11-9-15)7-5-13(14)17/h4,8,10H,5-7,9,11H2,1-3H3 |
| InChIKey |
NNPGLQYRFKPUNK-UHFFFAOYSA-N |
| Molecular Weight |
230.351 g/mol |
| SMILES |
C=12C(C(=O)CCC22C=CC(CC1)(C)CC2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886254 |
