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4,7-Methano-2,3,8-methenocyclopent[a]indene, 10-bromo-1,2,3,3a,3b,4,7,7a,8,8a-decahydro-, stereoisomer
SpectraBase Compound ID FXu0DRepbbL
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
Mol Weight 263.18 g/mol
Molecular Formula C14H15Br
Exact Mass 262.035713 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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
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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