Dataset

PCC9009_Schanbacher_ACBderivatives_cmp_Z8_Anhydrocyanobacterin B[12]

Chemical Information

InChI	InChI=1S/C21H19ClO4/c1-12(2)20-16(9-14-5-8-18(24)17(22)10-14)21(25)26-19(20)11-13-3-6-15(23)7-4-13/h3-8,10-12,23-24H,9H2,1-2H3/b19-11-
SMILES	CC(C)C1=C(CC2=CC=C(O)C(Cl)=C2)C(=O)O/C1=C\C1=CC=C(O)C=C1
InChI Key	QCQMDKWKHXIAAH-ODLFYWEKSA-N

Data and Resources

• PCC9009_Schanbacher_ACBderivatives_cmp_Z8_Anhyd...HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p112.s1160.d5039
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D5039
Version
Author
Maintainer
Language	english
MetadataPublished	2025-05-13T09:35:59.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z8654_0007 (PH QXI 600S3 H/P-C/N-D-05 Z BTO) Temperature : 299.9957 K magnetic field strength : 14.09618467069695 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : MFhsqceaf2 Spectral Width : [16.6615898802302, 165.642135823888] number of data points : 6 points relaxation time measurement : 1.3 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.