1,1-DICHLORO-1-HEPTENE

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MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.

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Dataset

1,1-DICHLORO-1-HEPTENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004672 contains the MS mass spectrum of 1,1-DICHLORO-1-HEPTENE with the InChIkey SHIGTIVKNFPBPY-UHFFFAOYSA-N.

Chemical Info

molecular Image

InChI	InChI=1S/C7H12Cl2/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3
SMILES	CCCCCC=C(Cl)Cl
InChI Key	SHIGTIVKNFPBPY-UHFFFAOYSA-N
Molecular Formula	C7H12Cl2
Exact Mass	166.032 g/mol

Data and Resources

1,1-DICHLORO-1-HEPTENEHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004672
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:57.905750
MetadataModified	2024-01-11T15:55:58.060906
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
16008036	PubChem: Thomson Pharma
DTXSID00449551	EPA CompTox Dashboard
J46.583F	Nikkaji
SCHEMBL11315173	SureChEMBL
10953908	PubChem
The data in this table is sourced from UniChem at EBI.