Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C23H25NO6/c1-2-28-21(25)23(27)12-6-10-18-17(23)14-19(20-11-7-13-29-20)24(18)22(26)30-15-16-8-4-3-5-9-16/h3-11,13,17-19,27H,2,12,14-15H2,1H3/t17-,18-,19-,23?/m0/s1
SMILES	CCOC(=O)C1(O)CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1
InChI Key	BSSSUBNNKWOSSG-BBGGMCIKSA-N
Molecular Formula	C23H25NO6
Exact Mass	411.448 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/BSSSUBNNKWOSSG-BBGGMCIKSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/BSSSUBNNKWOSSG-BBGGMCIKSA-N/NMR/1H/CDCl3/400
Version
Author	Paul Sauter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:59:03.780613
MetadataModified	2024-09-07T13:24:43.140418
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427496	PubChem
The data in this table is sourced from UniChem at EBI.