Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)
SMILES CCCCNC(=O)C
InChI Key GYLDXXLJMRTVSS-UHFFFAOYSA-N
Molecular Formula C6H13NO
Exact Mass 115.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GYLDXXLJMRTVSS-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GYLDXXLJMRTVSS-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:13:07.890258
MetadataModified 2024-09-07T15:16:57.370666
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL48873 SureChEMBL
61265 PubChem
10024960 NMRShiftDB
HMDB0031651 Human Metabolome Database
45F5O38HJS FDA SRS
14793713 PubChem: Thomson Pharma
1119-49-9 ACToR
240485 Brenda
J43.278D Nikkaji
DTXSID2061511 EPA CompTox Dashboard
ZINC000001641287 ZINC
The data in this table is sourced from UniChem at EBI.