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3-CHLORO-3-METHYLHEPTANE
SpectraBase Compound ID BOA0VIbk5UD
InChI InChI=1S/C8H17Cl/c1-4-6-7-8(3,9)5-2/h4-7H2,1-3H3
InChIKey XGAHNVWATDXDPG-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 CTrnFxGV9C5
Name Heptane, 3-chloro-3-methyl-
CAS Registry Number 5272-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H17Cl
InChI InChI=1S/C8H17Cl/c1-4-6-7-8(3,9)5-2/h4-7H2,1-3H3
InChIKey XGAHNVWATDXDPG-UHFFFAOYSA-N
Molecular Weight 148.677 g/mol
SMILES C(Cl)(CC)(CCCC)C
SPLASH splash10-0a6u-9000000000-654e4674577e930c7392
Source of Spectrum NW-521-0-0
Synonyms 3-Chloranyl-3-methyl-heptane 3-Chloro-3-methyl-heptane
Wiley ID 1145453