| SpectraBase Spectrum ID |
11xyzlECrFA |
| Name |
4A,7-Ethano-4ah-benzocyclohepten-2(7H)-one, 3,4,8,9-tetrahydro-1,7-dimethyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.151415263 u |
| Formula |
C15H20O |
| InChI |
InChI=1S/C15H20O/c1-11-12-3-5-14(2)7-9-15(12,10-8-14)6-4-13(11)16/h7,9H,3-6,8,10H2,1-2H3 |
| InChIKey |
YFVUDGQMSPGMIS-UHFFFAOYSA-N |
| Molecular Weight |
216.324 g/mol |
| SMILES |
C12=C(C(=O)CCC22C=CC(CC1)(C)CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802308 |
