SpectraBase Spectrum ID |
AjnxhUF8s7m |
Name |
4,7-Methano-2,3,8-methenocyclopent[A]indene, 10-bromo-1,2,3,3A,3B,4,7,7A,8,8A-decahydro-, stereoisomer |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.035713483 u |
Formula |
C14H15Br |
InChI |
InChI=1S/C14H15Br/c15-14-4-1-2-5(14)9-8(4)10-6-3-7-12(10)13(7)11(6)9/h1-2,4-14H,3H2/t4-,5+,6-,7+,8-,9-,10+,11-,12+,13-,14?/m1/s1 |
InChIKey |
GYNBDRGHLZHMBL-LSOJGRTLSA-N |
Molecular Weight |
263.178 g/mol |
SMILES |
C1(Br)[C@]2([C@]3([C@]4([C@@]5([C@]6([C@@]5([C@@]([C@@]3([C@@]1(C=C2)[H])[H])([C@@]4(C6)[H])[H])[H])[H])[H])[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839598 |