Dataset

PEtOx 110k.

Chemical Info

InChI	InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3
SMILES	CCC1=NCCO1
InChI Key	NYEZZYQZRQDLEH-UHFFFAOYSA-N

Data and Resources

• PEtOx 110k.HTML
  Explore

  • More information
  • Go to resource

• __

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p68.s512.d2613
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D2613
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T16:23:43.697094
MetadataModified	2025-02-03T16:23:43.697099
MetadataPublished	2024-06-14 10:54:04

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CB6264718	ChemicalBook
10431-98-8	ACToR
481191	eMolecules
B8CD92T4P5	FDA SRS
114730-76-6	ACToR
15194252	PubChem: Thomson Pharma
66412	PubChem
SCHEMBL25266	SureChEMBL
HMDB0245112	Human Metabolome Database
J24.393K	Nikkaji
20051796	NMRShiftDB
DTXSID9065075	EPA CompTox Dashboard
ZINC000001722614	ZINC
The data in this table is sourced from UniChem at EBI.