4,7,7-Trimethyl-1-(1,4-thiazinan-4-ylcarbonyl)-2-oxabicyclo[2.2.1]heptan-3-one

enlarge

Systematic / IUPAC Name: 4,7,7-Trimethyl-1-(4-thiomorpholinylcarbonyl)-2-oxabicyclo[2.2.1]heptan-3-one

ID: Reference4771

Other Names: 2-Oxabicyclo[2.2.1]heptan-3-one, 4,7,7-trimethyl-1-(4-thiomorpholinylcarbonyl)-

Formula: C14H21NO3S

Spectral Data

4,7,7-Trimethyl-1-(1,4-thiazinan-4-ylcarbonyl)-2-oxabicyclo[2.2.1]heptan-3-one 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/11/2016 6:31:02 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H21NO3S/c1-12(2)13(3)4-5-14(12,18-11(13)17)10(16)15-6-8-19-9-7-15/h4-9H2,1-3H3
InChI Key ZUKPXFDBCGFMEH-UHFFFAOYSA-N
Canonical SMILES CC1(C2(CCC1(OC2=O)C(=O)N3CCSCC3)C)C
CAS
Splash
Other Names 2-Oxabicyclo[2.2.1]heptan-3-one, 4,7,7-trimethyl-1-(4-thiomorpholinylcarbonyl)-

In Other Databases

ChemSpider 2022871
PubChem 2741302