Dataset

5_BCH-019A_hydrolyzed_citronellyl_acetate_after_lipase_DCC_Asn_04092025_FULL[8]

Chemical Information

InChI	InChI=1S/C48H50N2O5/c1-34(2)18-17-19-35(3)30-31-54-46(52)44(49-47(53)55-33-43-41-28-15-13-26-39(41)40-27-14-16-29-42(40)43)32-45(51)50-48(36-20-7-4-8-21-36,37-22-9-5-10-23-37)38-24-11-6-12-25-38/h4-16,18,20-29,35,43-44H,17,19,30-33H2,1-3H3,(H,49,53)(H,50,51)/t35?,44-/m0/s1
SMILES	CC(C)=CCCC(C)CCOC(=O)[C@H](CC(=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2
InChI Key	UOGZEVMUDNNXTE-RNOSVXDJSA-N

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p110.s1140.d4946
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D4946
Version
Author
Maintainer
Language	english
MetadataPublished	2025-04-28T17:52:48.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) Temperature : 298.1497 K magnetic field strength : 11.746350827011339 Tesla number of scans : 50 scans nuclear magnetic resonance pulse sequence : hmbcetgpl3nd Spectral Width : [12.9835658317182, 239.487911911164] number of data points : [4096, 32] points relaxation time measurement : 2 seconds

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