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3-Chloro-4,4-dimethylbicyclo[3.2.1]octa-2,6-diene

View entire compound with spectra: 1 FTIR

3-Chloro-4,4-dimethylbicyclo[3.2.1]octa-2,6-diene
SpectraBase Compound ID BgpSvHtP3Ht
InChI InChI=1S/C10H13Cl/c1-10(2)8-4-3-7(5-8)6-9(10)11/h3-4,6-8H,5H2,1-2H3/t7-,8+/m1/s1
InChIKey YUXCOLZCGCHODU-SFYZADRCSA-N
Mol Weight 168.67 g/mol
Molecular Formula C10H13Cl
Exact Mass 168.070578 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92t210JtaRx
Name 3-Chloro-4,4-dimethylbicyclo[3.2.1]octa-2,6-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.070578119 u
Formula C10H13Cl
InChI InChI=1S/C10H13Cl/c1-10(2)8-4-3-7(5-8)6-9(10)11/h3-4,6-8H,5H2,1-2H3/t7-,8+/m1/s1
InChIKey YUXCOLZCGCHODU-SFYZADRCSA-N
Molecular Weight 168.667 g/mol
SMILES [C@@]12(C=C[C@@](C2)(C(C(=C1)Cl)(C)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934713