Dataset

196793-29-0.hmbc

Chemical Info

InChI	InChI=1S/C18H25NO3/c1-9-4-7-13-12(8-9)6-5-10(2)14(13)17(21)15-16(20)11(3)19-18(15)22/h5-6,9-14,20H,4,7-8H2,1-3H3,(H,19,22)
SMILES	CC1CCC2C(C=CC(C)C2C(=O)C2=C(O)C(C)NC2=O)C1
InChI Key	AJWRDTYJALCPNP-UHFFFAOYSA-N
Molecular Formula	C18H25NO3
Exact Mass	303.400 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p11.s71.d413
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D413
Version
Author	Schüffler A, Kautz D, Liermann JC, Opatz T, Anke T.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:30:52.830921
MetadataModified	2024-09-23T09:34:15.205384
MetadataPublished	2022-10-29 10:40:50

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm BBO BB-1H/D Z-GRD Z8248/0157 Temperature : 293.6 K magnetic field strength : 9.404502425673087 Tesla number of scans : 40 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [13.9777680542625, 229.879761084156] number of data points : [2048, 256] points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
14898543	PubChem: Thomson Pharma
CA0E3T9ZZ3	FDA SRS
The data in this table is sourced from UniChem at EBI.