Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H16N2O3/c13-11(15)7-4-8-14-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,13,15)(H,14,16)
SMILES	NC(=O)CCCNC(=O)OCc1ccccc1
InChI Key	TZCMRRZQVXPIDW-UHFFFAOYSA-N
Molecular Formula	C12H16N2O3
Exact Mass	236.267 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TZCMRRZQVXPIDW-UHFFFAOYSA-N/NMR/1H/MeOD/250
License URL
Source	https://www.chemotion-repository.net/inchikey/TZCMRRZQVXPIDW-UHFFFAOYSA-N/NMR/1H/MeOD/250
Version
Author	Carmen Cardenal
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:38:00.801214
MetadataModified	2024-09-07T12:53:21.446012
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
12478012	PubChem
SCHEMBL8698925	SureChEMBL
The data in this table is sourced from UniChem at EBI.