Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H15NO3S/c1-10-3-8-13-14(9-10)21-16(17-13,15(19)20-2)11-4-6-12(18)7-5-11/h3-9,17-18H,1-2H3
SMILES	COC(=O)C1(Nc2c(S1)cc(cc2)C)c1ccc(cc1)O
InChI Key	LKLAQSQLIWJRIC-UHFFFAOYSA-N
Molecular Formula	C16H15NO3S
Exact Mass	301.360 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/LKLAQSQLIWJRIC-UHFFFAOYSA-N/CHMO0000470.2
License URL
Source	https://www.chemotion-repository.net/inchikey/LKLAQSQLIWJRIC-UHFFFAOYSA-N/CHMO0000470.2
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:43:11.465084
MetadataModified	2024-09-07T17:21:16.101656
MetadataPublished	2020-03-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145997951	PubChem
The data in this table is sourced from UniChem at EBI.