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

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

5,10-dichloro-10,11-dihydro-5,10-methano-5H-dibenzo[a,d]cycloheptene
SpectraBase Compound ID IpeKzHBu2TE
InChI InChI=1S/C16H12Cl2/c17-15-9-11-5-1-2-6-12(11)16(18,10-15)14-8-4-3-7-13(14)15/h1-8H,9-10H2/t15-,16-/m1/s1 InChI=1S/C16H12Cl2/c17-15-9-11-5-1-2-6-12(11)16(18,10-15)14-8-4-3-7-13(14)15/h1-8H,9-10H2/t15-,16-/m0/s1
InChIKey KEYXAVBMPFBKNE-HZPDHXFCSA-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 AF2GsBLrncN
Name 5,10-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/c17-15-9-11-5-1-2-6-12(11)16(18,10-15)14-8-4-3-7-13(14)15/h1-8H,9-10H2/t15-,16-/m1/s1
InChIKey KEYXAVBMPFBKNE-HZPDHXFCSA-N
SMILES C1=CC=C2C[C@@]3(C4=C(C=CC=C4)[C@](C2=C1)(C3)Cl)Cl
Spectrum/Structure Validation Score (Raman) 0.833069