Dataset

O,O-DIETHYL S-(6-CHLOROBENZOXZAOLON-3-YL)METHYL PHOSPHORODITHIOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010566 contains the MS mass spectrum of O,O-DIETHYL S-(6-CHLOROBENZOXZAOLON-3-YL)METHYL PHOSPHORODITHIOATE with the InChIkey IOUNQDKNJZEDEP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
SMILES	CCOP(=S)(OCC)SCN(C(=O)1)c(c2)c(cc(Cl)c2)O1
InChI Key	IOUNQDKNJZEDEP-UHFFFAOYSA-N
Molecular Formula	C12H15ClNO4PS2
Exact Mass	366.987 g/mol

Data and Resources

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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-JP010566
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:58.794984
MetadataModified	2024-01-11T15:57:58.968120
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000000900715	ZINC
DTXSID1024259	EPA CompTox Dashboard
HY-B2029	MedChemExpress
HMDB0041985	Human Metabolome Database
167248	Brenda
CB3358140	ChemicalBook
PD011977	ProbesDrugs
448B85HT8M	FDA SRS
LSM-25642	LINCS
4793	PubChem
11129-09-2	ACToR
14755168	PubChem: Thomson Pharma
2310-17-0	ACToR
J2.146F	Nikkaji
MCULE-7104953013	Mcule
20208212	NMRShiftDB
SCHEMBL26843	SureChEMBL
1988484	eMolecules
8121	ChEBI
CHEMBL1528531	ChEMBL
C11028	KEGG Ligand
The data in this table is sourced from UniChem at EBI.