Dataset

distortionless enhancement with polarization transfer (DEPT)

Chemical Info

InChI	InChI=1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3
SMILES	O=Cc1c(C)cccc1C
InChI Key	QOJQBWSZHCKOLL-UHFFFAOYSA-N
Exact Mass	134.175 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QOJQBWSZHCKOLL-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source	https://www.chemotion-repository.net/inchikey/QOJQBWSZHCKOLL-UHFFFAOYSA-N/CHMO0000596.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:05:36.678397
MetadataModified	2024-09-23T09:21:15.704495
MetadataPublished	2023-12-14

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp135 Number of scans : 256 Title : CCP-3685 Date : 20231213 Start time : 8.48 h Instrument : spect Label : CCP-3515 ID : 287603 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
CB1347964	ChemicalBook
516283	eMolecules
1123-56-4	ACToR
14769368	PubChem: Thomson Pharma
SCHEMBL66979	SureChEMBL
J328.260K	Nikkaji
DTXSID40342693	EPA CompTox Dashboard
235947	Brenda
ZINC000002582001	ZINC
583841	PubChem
20040403	NMRShiftDB
The data in this table is sourced from UniChem at EBI.