SpectraBase Spectrum ID |
9h4lVqrtSvX |
Name |
Bicyclo[2.2.1]hept-5-en-2-one, 3-(1-methylethyl)-, endo-(.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
150.104465070 u |
Formula |
C10H14O |
InChI |
InChI=1S/C10H14O/c1-6(2)9-7-3-4-8(5-7)10(9)11/h3-4,6-9H,5H2,1-2H3/t7-,8+,9?/m0/s1 |
InChIKey |
WXPNHUIXKUYPDV-ZQTLJVIJSA-N |
Molecular Weight |
150.221 g/mol |
SMILES |
C1(C([C@@]2(C[C@]1(C=C2)[H])[H])C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90647 |