SpectraBase Spectrum ID |
E6hXfMaWozp |
Name |
(2E)-2-Benzylidene-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.151415263 u |
Formula |
C17H20O |
InChI |
InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11+/t14-,17+/m0/s1 |
InChIKey |
OIQXFRANQVWXJF-RGCHEUQESA-N |
Molecular Weight |
240.346 g/mol |
SMILES |
[C@]12(C(\C([C@](CC2)(C1(C)C)[H])=C\C=1C=CC=CC1)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879058 |