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Bicyclo[2.2.1]hept-5-ene, endo-2-bromomethyl-
SpectraBase Compound ID FjNC0y3JbpD
InChI InChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2/t6-,7+,8+/m1/s1
InChIKey XCDJEPZLSGMJSM-CSMHCCOUSA-N
Mol Weight 187.08 g/mol
Molecular Formula C8H11Br
Exact Mass 186.004413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F7DjEc1CmlS
Name Bicyclo[2.2.1]hept-5-ene, endo-2-bromomethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.004413354 u
Formula C8H11Br
InChI InChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2/t6-,7+,8+/m1/s1
InChIKey XCDJEPZLSGMJSM-CSMHCCOUSA-N
Molecular Weight 187.080 g/mol
SMILES [C@]12(C=C[C@](C2)(C[C@]1(CBr)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933617