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

*Links on SpectraBase are not permalinks.
METHYL-(1R,3AR)-3A-(3'-METHYLBUT-2'-ENYL)-3,5-DIOXO-2,3,3A,4,5,6-HEXAHYDRO-1H-INDENE-1-CARBOXYLATE
SpectraBase Compound ID JC5QZpiKqj8
InChI InChI=1S/C16H20O4/c1-10(2)6-7-16-9-11(17)4-5-13(16)12(8-14(16)18)15(19)20-3/h5-6,12H,4,7-9H2,1-3H3/t12-,16-/m1/s1
InChIKey WLRLTSDKRXSFOI-MLGOLLRUSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 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 8CSTQzFFuIq
Name Methyl (1R*,3aR*)-3a-(3'-methylbut-2'-enyl)-3,5-dioxo-2,3,3a,4,5,6-hexahydro-1H-indene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-10(2)6-7-16-9-11(17)4-5-13(16)12(8-14(16)18)15(19)20-3/h5-6,12H,4,7-9H2,1-3H3/t12-,16-/m1/s1
InChIKey WLRLTSDKRXSFOI-MLGOLLRUSA-N
Molecular Weight 276.332 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(CC2=O)[H])=CCC(C1)=O)CC=C(C)C
SPLASH splash10-0900-6790000000-6b50435936aa9937bec9
Source of Spectrum B-45-227-0
Synonyms Methyl (1R,3aR)-3a-(3-methyl-2-butenyl)-3,5-dioxo-2,3,3a,4,5,6-hexahydro-1H-indene-1-carboxylate
Wiley ID 1280203