| SpectraBase Spectrum ID |
9REKeTqeCD |
| Name |
4A,7-Ethano-4ah-benzocyclohepten-5(2H)-one, 1,3,4,6,7,8-hexahydro-1,1,7-trimethyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.182715392 u |
| Formula |
C16H24O |
| InChI |
InChI=1S/C16H24O/c1-14(2)6-4-7-16-10-9-15(3,11-13(16)17)8-5-12(14)16/h5H,4,6-11H2,1-3H3 |
| InChIKey |
HILHAGRHDMVGJW-UHFFFAOYSA-N |
| Molecular Weight |
232.367 g/mol |
| SMILES |
C1=2C3(C(CC(CC2)(C)CC3)=O)CCCC1(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877144 |
