For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Diethyl (E)-2-bromo-8-methoxy-12-phenyl-1,11-dodecadienee-6-yne-4,4-dicarboxylate
SpectraBase Compound ID AVHBiULbUjF
InChI InChI=1S/C25H31BrO5/c1-5-30-23(27)25(19-20(3)26,24(28)31-6-2)18-12-17-22(29-4)16-11-10-15-21-13-8-7-9-14-21/h7-10,13-15,22H,3,5-6,11,16,18-19H2,1-2,4H3/b15-10+
InChIKey DBBZYFOSFVRNPI-XNTDXEJSSA-N
Mol Weight 491.42 g/mol
Molecular Formula C25H31BrO5
Exact Mass 490.135487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1PqGhvOeneD
Name Diethyl (E)-2-bromo-8-methoxy-12-phenyl-1,11-dodecadienee-6-yne-4,4-dicarboxylate
Alternate Name(s) Diethyl 2-(2-bromo-2-propenyl)-2-[(7E)-4-methoxy-8-phenyl-7-octen-2-ynyl]malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31BrO5
InChI InChI=1S/C25H31BrO5/c1-5-30-23(27)25(19-20(3)26,24(28)31-6-2)18-12-17-22(29-4)16-11-10-15-21-13-8-7-9-14-21/h7-10,13-15,22H,3,5-6,11,16,18-19H2,1-2,4H3/b15-10+
InChIKey DBBZYFOSFVRNPI-XNTDXEJSSA-N
Molecular Weight 491.422 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(OC)CC\C=C\c1ccccc1
SPLASH splash10-00mx-9541100000-664bd7a9d528fc0f04c7
Source of Spectrum F-52-11567-27
Wiley ID 798503