SpectraBase Spectrum ID |
3ENOPSUb7Uc |
Name |
Endo-3-methylenetricyclo[3.2.1.0(2,4)]oct-6-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
118.078250322 u |
Formula |
C9H10 |
InChI |
InChI=1S/C9H10/c1-5-8-6-2-3-7(4-6)9(5)8/h2-3,6-9H,1,4H2/t6-,7+,8+,9- |
InChIKey |
SILIFYUSYIFKDQ-OJOKCITNSA-N |
Molecular Weight |
118.179 g/mol |
SMILES |
[C@@]12([C@@]([C@]3(C=C[C@@]2(C3)[H])[H])(C1=C)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917243 |