Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H17NO2S/c1-10-5-6-12-15(9-10)21-17(18-12)16-13(19-3)7-11(2)8-14(16)20-4/h5-9H,1-4H3
SMILES	COc1cc(C)cc(c1c1sc2c(n1)ccc(c2)C)OC
InChI Key	QXXCRBSWGPRILJ-UHFFFAOYSA-N
Molecular Formula	C17H17NO2S
Exact Mass	299.387 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QXXCRBSWGPRILJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QXXCRBSWGPRILJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:43:21.985048
MetadataModified	2024-09-07T21:17:01.203354
MetadataPublished	2022-01-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162394348	PubChem
The data in this table is sourced from UniChem at EBI.