Systematic / IUPAC Name: (3S,6E)-6-(Bromomethylene)-3-(1-naphthyl)tetrahydro-2H-pyran-2-one
ID: Reference4405
Other Names:
2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (3S,6E)-;
6E-(Bromoethylene)tetrahydro-3S-(1-naphthalenyl)-2H-pyran-2-one
Formula: C16H13BrO2
Class: Endogenous Metabolites
(S)-Bromoenol lactone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 1833 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 4/4/2016 7:08:38 AM |
InChI | InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+/t15-/m0/s1 |
InChI Key | BYUCSFWXCMTYOI-PABFRNLHSA-N |
Canonical SMILES | C1CC(=CBr)OC(=O)C1C2=CC=CC3=CC=CC=C32 |
CAS | 478288947 |
Splash | |
Other Names |
2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (3S,6E)-; 6E-(Bromoethylene)tetrahydro-3S-(1-naphthalenyl)-2H-pyran-2-one |
ChEMBL | CHEMBL1256018 |
PubChem | 40486927 |
ChemSpider | 21467555 |