| SpectraBase Spectrum ID |
J6VRsBbejyc |
| Name |
Spiroheptadiene, dimer |
| 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/c1-2-11-12-9(3-4-13(12)5-6-13)10(1)14(11)7-8-14/h1-4,9-12H,5-8H2/t9?,10-,11+,12?/m1/s1 |
| InChIKey |
FANZXNHDKGULED-UPOSSJBDSA-N |
| Molecular Weight |
184.282 g/mol |
| SMILES |
C1=CC2(C3C1[C@@]1(C4([C@]3(C=C1)[H])CC4)[H])CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851347 |
