Dataset

PEtOx 30k.

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 30k.HTML
  Explore

  • More information
  • Go to resource

• __

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p68.s510.d2588
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D2588
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T16:22:12.813525
MetadataModified	2025-02-03T16:22:12.813531
MetadataPublished	2024-06-14 10:54:04

Field	Value
No additional information available for this Dataset.

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