Dataset

JUV-042_time1_310PM_100mg_diene_113mg_pBQ_CDCl3_01_28_2025[1]

Chemical Information

InChI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,9H,1,4-5,7H2,2-3H3/t9-/m0/s1
SMILES	C=C(C)C1=CC[C@H](C)CC1
InChI Key	AJSJXSBFZDIRIS-VIFPVBQESA-N

Data and Resources

• JUV-042_time1_310PM_100mg_diene_113mg_pBQ_CDCl3...HTML
  Go to source

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p153.s1525.d6735
License URL	https://creativecommons.org/licenses/by-nc/4.0/legalcode
Source	https://nmrxiv.org/D6735
Version
Author
Maintainer
Language	english
MetadataPublished	2025-12-25T04:05:32.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z149001_0004 (CPP BBO 500S1 BB-H&F-05 Z) Temperature : 298.1491 K magnetic field strength : 11.746350800110099 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 19.9946778845251 number of data points : 32768 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
12354212	PubChem
DTXSID40493598	EPA CompTox Dashboard
ZINC000086034100	ZINC
The data in this table is sourced from UniChem at EBI.