Dataset

50-36-2.proton

Chemical Info

InChI	InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
SMILES	COC(=O)C1C(OC(=O)C2=CC=CC=C2)CC2CCC1N2C
InChI Key	ZPUCINDJVBIVPJ-UHFFFAOYSA-N
Molecular Formula	C17H21NO4
Exact Mass	303.350 g/mol

Data and Resources

• 50-36-2.protonHTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.57992/nmrxiv.p10.s57.d239
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D239
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:37:41.775842
MetadataModified	2024-05-15T09:04:15.320113
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 300 K magnetic field strength : 16.444844184625595 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg Spectral Width : 10.0013847981732 number of data points : 65536 points relaxation time measurement : 1 seconds