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10,endo-11-dichloro-10,11-dihydro-5,10-methano-5H-dibenzo[a,d]cycloheptene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

10,endo-11-dichloro-10,11-dihydro-5,10-methano-5H-dibenzo[a,d]cycloheptene
SpectraBase Compound ID 5ohayDOVR5T
InChI InChI=1S/C16H12Cl2/c17-15-12-7-2-1-5-10(12)13-9-16(15,18)14-8-4-3-6-11(13)14/h1-8,13,15H,9H2/t13-,15-,16+/m0/s1
InChIKey HGDINSCVKYXKFF-CWRNSKLLSA-N
Mol Weight 275.18 g/mol
Molecular Formula C16H12Cl2
Exact Mass 274.031606 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID xfuGb0qV33
Name 10,Endo-11-dichloro-10,11-dihydro-5,10-methano-5H-dibenzo[A,D]cycloheptene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.031605786 u
Formula C16H12Cl2
InChI InChI=1S/C16H12Cl2/c17-15-12-7-2-1-5-10(12)13-9-16(15,18)14-8-4-3-6-11(13)14/h1-8,13,15H,9H2/t13-,15-,16+/m0/s1
InChIKey HGDINSCVKYXKFF-CWRNSKLLSA-N
SMILES C1=CC=C2[C@@]([C@@]3(C4=C(C=CC=C4)[C@](C2=C1)(C3)[H])Cl)(Cl)[H]
Spectrum/Structure Validation Score (Raman) 0.830111