SpectraBase Spectrum ID |
K3MHvRUlplc |
Name |
Pentacyclo[7.5.0.0(2,7).0(3,5).0(4,8)]tetradeca-10,12-diene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
184.125200515 u |
Formula |
C14H16 |
InChI |
InChI=1S/C14H16/c1-2-4-7-8(5-3-1)12-9-6-10-13(11(7)9)14(10)12/h1-4,7-14H,5-6H2/t7?,8?,9-,10-,11-,12+,13-,14+/m0/s1 |
InChIKey |
NGWKSEZRNXUHFM-VJDSWIFISA-N |
Molecular Weight |
184.282 g/mol |
SMILES |
[C@]12([C@]3([C@]4(C5C=CC=CCC5[C@@]([C@@]23[H])([C@]4(C1)[H])[H])[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873272 |