Dataset

27hi[61]

Chemical Information

InChI	InChI=1S/C12H17NO4S/c1-9(2)8-13-18(15,16)11-7-5-4-6-10(11)12(14)17-3/h4-7,9,13H,8H2,1-3H3
SMILES	COC(=O)C1=C(S(=O)(=O)NCC(C)C)C=CC=C1
InChI Key	DUGWALIMOZENPO-UHFFFAOYSA-N
Exact Mass	271.330 g/mol

Data and Resources

• 27hi[61]HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s989.d4616
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4616
Version
Author
Maintainer
Language	english
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 298.1578 K magnetic field strength : 9.396159066431597 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 248.43766462855 number of data points : 10 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
MCULE-7216341774	Mcule
60639871	PubChem
The data in this table is sourced from UniChem at EBI.