Dataset

2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-METHYL-1,2,3,6-TETRAHYDRO-PYRIDINE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003027 contains the MS mass spectrum of 2-ACETOXY-1-ACETYL-3,6-DI-TERT-BUTYLMERCAPTO-4-METHYL-1,2,3,6-TETRAHYDRO-PYRIDINE with the InChIkey ZIBQZACYDHZNNM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H31NO3S2/c1-11-10-14(23-17(4,5)6)19(12(2)20)16(22-13(3)21)15(11)24-18(7,8)9/h10,14-16H,1-9H3
SMILES CC(=O)OC(C(SC(C)(C)C)1)N(C(C)=O)C(SC(C)(C)C)C=C(C)1
InChI Key ZIBQZACYDHZNNM-UHFFFAOYSA-N
Molecular Formula C18H31NO3S2
Exact Mass 373.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003027
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:54.693926
MetadataModified 2024-01-11T15:57:54.911003
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
565118 PubChem
J46.733B Nikkaji
The data in this table is sourced from UniChem at EBI.