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

*Links on SpectraBase are not permalinks.
2,7-Dioxabicyclo[3.2.0]hept-3-ene-6-carboxylic acid, 3-acetyl-, butyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
SpectraBase Compound ID 63sctJ7hjwr
InChI InChI=1S/C12H16O5/c1-3-4-5-15-11(14)10-8-6-9(7(2)13)16-12(8)17-10/h6,8,10,12H,3-5H2,1-2H3/t8-,10+,12+/m0/s1
InChIKey GFLIFPPGKFZQKZ-MKPLZMMCSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 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 IJnTJXCsMz0
Name 2,7-Dioxabicyclo[3.2.0]hept-3-ene-6-carboxylic acid, 3-acetyl-, butyl ester, (1.alpha.,5.alpha.,6.alpha.)-(.+-.)-
CAS Registry Number 122902-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-3-4-5-15-11(14)10-8-6-9(7(2)13)16-12(8)17-10/h6,8,10,12H,3-5H2,1-2H3/t8-,10+,12+/m0/s1
InChIKey GFLIFPPGKFZQKZ-MKPLZMMCSA-N
Molecular Weight 240.255 g/mol
SMILES [C@]12([C@@](OC(=C2)C(=O)C)([H])O[C@]1(C(=O)OCCCC)[H])[H]
SPLASH splash10-03dj-5900000000-1fbb40eeaa3302d7a31d
Source of Spectrum J-54-4723-0
Synonyms Butyl (1S,5S,6R)-3-acetyl-2,7-dioxabicyclo[3.2.0]hept-3-ene-6-carboxylate [1-(R,S),5(R,S)]butyl 3-(1-oxoethyl)-2,7-dioxabicyclo[3.2.0]hept-3-ene-6(R,S)-carboxylate
Wiley ID 1242668