Dataset

12c_JCAMP.

Chemical Info

InChI	InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(22)16-17-20(23-19)24-21(2,3)4/h16-17,19-20H,5-15H2,1-4H3
SMILES	[CH:1]1=[CH:2][CH:3]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[O:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[C:6]1=[O:7]
InChI Key	ZDYYYIGTVOCEMS-UHFFFAOYSA-N

Data and Resources

• 12c_JCAMP.HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p57.s354.d1888
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1888
Version
Author	Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann
Maintainer
Language	english
MetadataCreated	2024-05-15T09:01:16.378486
MetadataModified	2024-09-23T09:37:39.839215
MetadataPublished	2024-01-19 09:20:10

Field	Value
No additional information available for this Dataset.

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