Dataset

PCC9009_Schanbacher_ACBderivatives_cmp_EZ6_Anhydrocyanobacterin F[5]

Chemical Information

InChI	InChI=1S/C23H20Cl2O5/c1-12(2)21-15(6-14-8-17(25)22-20(10-14)28-11-29-22)23(26)30-19(21)9-13-4-5-18(27-3)16(24)7-13/h4-5,7-10,12H,6,11H2,1-3H3/b19-9-
SMILES	COC1=C(Cl)C=C(/C=C2\OC(=O)C(CC3=CC4=C(OCO4)C(Cl)=C3)=C2C(C)C)C=C1
InChI Key	BDAAGMNGBPCAKS-OCKHKDLRSA-N

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p112.s1158.d5024
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D5024
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 : Z168272_0003 (CP2.1 QCI 600S3 H&F-P/C/N-D-05 Z XT) Temperature : 300.0009 K magnetic field strength : 14.095010340939984 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : MFhsqceaclipcosyf2 Spectral Width : [16.6629780387615, 161.615899907689] number of data points : 5 points relaxation time measurement : 1.3 seconds

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