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Erythro-7,8-dichlorodisparlure

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

Erythro-7,8-dichlorodisparlure
SpectraBase Compound ID ItNP1cG2OQy
InChI InChI=1S/C19H38Cl2/c1-4-5-6-7-8-9-10-11-15-18(20)19(21)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3
InChIKey QYTPOXBPRPUSEN-UHFFFAOYSA-N
Mol Weight 337.4 g/mol
Molecular Formula C19H38Cl2
Exact Mass 336.235057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E9jYAIpCpzO
Name Erythro-7,8-dichlorodisparlure
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.235056624 u
Formula C19H38Cl2
InChI InChI=1S/C19H38Cl2/c1-4-5-6-7-8-9-10-11-15-18(20)19(21)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3
InChIKey QYTPOXBPRPUSEN-UHFFFAOYSA-N
Molecular Weight 337.419 g/mol
SMILES CC(CCCCC(C(CCCCCCCCCC)Cl)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895957