(S)-Bromoenol lactone

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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

Spectral Data

(S)-Bromoenol lactone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

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
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Identificators

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
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Other Names 2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (3S,6E)-;
6E-(Bromoethylene)tetrahydro-3S-(1-naphthalenyl)-2H-pyran-2-one

In Other Databases

ChEMBL CHEMBL1256018
PubChem 40486927
ChemSpider 21467555