Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m0/s1
SMILES	CC([S@](=O)/N=C/1\CCCC=C1)(C)C
InChI Key	ZTBMTQXYLGOKNE-FUWURINLSA-N
Molecular Formula	C10H17NOS
Exact Mass	199.313 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZTBMTQXYLGOKNE-FUWURINLSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/ZTBMTQXYLGOKNE-FUWURINLSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:12:26.052381
MetadataModified	2024-09-07T15:15:54.824216
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453459	PubChem
The data in this table is sourced from UniChem at EBI.