tert-Butyl 4-(2-thienylcarbonyl)-1,4-diazepane-1-carboxylate

enlarge

Systematic / IUPAC Name: 2-Methyl-2-propanyl 4-(2-thienylcarbonyl)-1,4-diazepane-1-carboxylate

ID: Reference4805

Other Names: 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-(2-thienylcarbonyl)-, 1,1-dimethylethyl ester

Formula: C15H22N2O3S

Spectral Data

tert-Butyl 4-(2-thienylcarbonyl)-1,4-diazepane-1-carboxylate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 115
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/12/2016 7:14:14 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H22N2O3S/c1-15(2,3)20-14(19)17-8-5-7-16(9-10-17)13(18)12-6-4-11-21-12/h4,6,11H,5,7-10H2,1-3H3
InChI Key IORDBNGODLTISU-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC=CS2
CAS
Splash
Other Names 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-(2-thienylcarbonyl)-, 1,1-dimethylethyl ester

In Other Databases

PubChem 2795676
ChemSpider 2074553