Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H21N/c1-5-10(3)12-8-7-9-13(14-12)11(4)6-2/h7-11H,5-6H2,1-4H3
SMILES	CCC(c1cccc(n1)C(CC)C)C
InChI Key	PUZXAVHMXPRPRG-UHFFFAOYSA-N
Molecular Formula	C13H21N
Exact Mass	191.313 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PUZXAVHMXPRPRG-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/PUZXAVHMXPRPRG-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:21:57.992577
MetadataModified	2024-09-07T15:29:59.085983
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
19593489	PubChem
SCHEMBL3631871	SureChEMBL
The data in this table is sourced from UniChem at EBI.