For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Heptane, 1,1,1,3-tetrachloro-
SpectraBase Compound ID 436hxjxqncO
InChI InChI=1S/C7H12Cl4/c1-2-3-4-6(8)5-7(9,10)11/h6H,2-5H2,1H3
InChIKey IGQSAOBUXLPLOL-UHFFFAOYSA-N
Mol Weight 238.0 g/mol
Molecular Formula C7H12Cl4
Exact Mass 235.969311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8uaYqijF2Yz
Name Heptane, 1,1,1,3-tetrachloro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.969311186 u
Formula C7H12Cl4
InChI InChI=1S/C7H12Cl4/c1-2-3-4-6(8)5-7(9,10)11/h6H,2-5H2,1H3
InChIKey IGQSAOBUXLPLOL-UHFFFAOYSA-N
Molecular Weight 237.985 g/mol
SMILES C(C(CCCC)Cl)C(Cl)(Cl)Cl