Dataset

distortionless enhancement with polarization transfer (DEPT)

Chemical Info

InChI	InChI=1S/C9H10O3/c1-6-3-8(11)5-9(4-6)12-7(2)10/h3-5,11H,1-2H3
SMILES	CC(=O)Oc1cc(C)cc(c1)O
InChI Key	WNNFOAQKFKIJQP-UHFFFAOYSA-N
Exact Mass	166.174 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000596
License URL
Source	https://www.chemotion-repository.net/inchikey/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000596
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:15:13.879546
MetadataModified	2024-09-23T09:21:46.051809
MetadataPublished	2024-01-19

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	Temperature : 300.0 K K Puls programme : deptsp90 Number of scans : 256 Title : SG-v4016 (8-15) Date : 20231106 Start time : 23.48 h Instrument : spect Label : SG-3399 ID : 281949 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J152.643J	Nikkaji
SCHEMBL6749439	SureChEMBL
22722640	PubChem
The data in this table is sourced from UniChem at EBI.