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2-(3-Chloro-propyl)-1,1-dimethyl-3-methylene-cyclohexane

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-(3-Chloro-propyl)-1,1-dimethyl-3-methylene-cyclohexane
SpectraBase Compound ID 4FJLkSyQDQg
InChI InChI=1S/C12H21Cl/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11H,1,4-9H2,2-3H3
InChIKey CMQCJCJDYGZDDH-UHFFFAOYSA-N
Mol Weight 200.75 g/mol
Molecular Formula C12H21Cl
Exact Mass 200.133178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 86sXzARKoi
Name 2-(3-Chloro-propyl)-1,1-dimethyl-3-methylene-cyclohexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.133178376 u
Formula C12H21Cl
InChI InChI=1S/C12H21Cl/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h11H,1,4-9H2,2-3H3
InChIKey CMQCJCJDYGZDDH-UHFFFAOYSA-N
Molecular Weight 200.753 g/mol
SMILES C1C(=C)C(CCCCl)C(CC1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916375