Dataset

4a_JCAMP.

Chemical Info

InChI	InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-11-12(14)9-10-13(11)15/h9-12,14H,2-8H2,1H3
SMILES	[CH:1]1([OH:7])[CH:2]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[C:3](=[O:6])[CH:4]=[CH:5]1
InChI Key	YVUMNOUOTTWTRW-UHFFFAOYSA-N
Molecular Formula	C13H22O2
Exact Mass	210.310 g/mol

Data and Resources

• 4a_JCAMP.HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p57.s341.d1869
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1869
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	2024-05-15T09:00:55.909646
MetadataModified	2025-02-03T16:07:51.751258
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.