SpectraBase Spectrum ID |
Dg9iHCGcxty |
Name |
2,7-Epoxy-1H-cyclopropa[B]naphthalene, 1A-bromo-7A-chloro-1A,2,7,7A-tetrahydro-, (1A.alpha.,2.beta.,7.beta.,7A.alpha.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.944705577 u |
Formula |
C11H8BrClO |
InChI |
InChI=1S/C11H8BrClO/c12-10-5-11(10,13)9-7-4-2-1-3-6(7)8(10)14-9/h1-4,8-9H,5H2 |
InChIKey |
KSXBGRGUWYFHRJ-UHFFFAOYSA-N |
SMILES |
C12(C(C3OC2C2=C3C=CC=C2)(Cl)C1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926889 |