SpectraBase Spectrum ID |
JGDlIb2GPMZ |
Name |
Tricyclo[7.5.0.0(3,7)]tetradec-3(7)-en-10-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.151415263 u |
Formula |
C14H20O |
InChI |
InChI=1S/C14H20O/c15-14-7-2-1-4-12-8-10-5-3-6-11(10)9-13(12)14/h12-13H,1-9H2/t12-,13+/m0/s1 |
InChIKey |
ZIFWQGKAUAYNMF-QWHCGFSZSA-N |
Molecular Weight |
204.313 g/mol |
SMILES |
C12=C(C[C@]3([C@@](C2)(C(=O)CCCC3)[H])[H])CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93303 |