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Heptane, 3-(chloromethyl)-
SpectraBase Compound ID IlyqIZOkzWH
InChI InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey WLVCBAMXYMWGLJ-UHFFFAOYSA-N
Mol Weight 148.68 g/mol
Molecular Formula C8H17Cl
Exact Mass 148.101878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3npniBHQMxg
Name Heptane, 3-(chloromethyl)-
CAS Registry Number 123-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H17Cl
InChI InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey WLVCBAMXYMWGLJ-UHFFFAOYSA-N
Molecular Weight 148.677 g/mol
SMILES CCC(CCCC)CCl
SPLASH splash10-0a4l-9000000000-e150e7f2719628bd93d5
Source of Spectrum EP-4007-0-0
Synonyms 3-Chloromethylheptane 1-Chloro-2-ethylhexane 2-Ethylhexyl chloride 3-(Chloromethyl)heptane AI3-28590 BRN 1697456 EINECS 204-594-4 NSC 8883
Wiley ID 1145450