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(1R*,3aS*,4S*,6S*,7aR*)-4-Hydroxy-3-methoxy-1-vinyltetrahydro-3H-3a,6-ethanoisobenzofuran-5(4H)-one
SpectraBase Compound ID HxKOPJYncRi
InChI InChI=1S/C13H18O4/c1-3-9-8-6-7-4-5-13(8,11(15)10(7)14)12(16-2)17-9/h3,7-9,11-12,15H,1,4-6H2,2H3/t7-,8-,9+,11-,12?,13-/m0/s1
InChIKey IPDZYAXUMVQFMI-UKVTXZPWSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gkgfGylRw
Name (1R*,3aS*,4S*,6S*,7aR*)-4-Hydroxy-3-methoxy-1-vinyltetrahydro-3H-3a,6-ethanoisobenzofuran-5(4H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.120509056 u
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-9-8-6-7-4-5-13(8,11(15)10(7)14)12(16-2)17-9/h3,7-9,11-12,15H,1,4-6H2,2H3/t7-,8-,9+,11-,12?,13-/m0/s1
InChIKey IPDZYAXUMVQFMI-UKVTXZPWSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800806
Molecular Weight 238.283 g/mol
Quality 259
Reported Formula C13H18O4
SMILES O[C@@]1([C@@]23[C@]([C@](OC3OC)(C=C)[H])(C[C@](CC2)(C1=O)[H])[H])[H]
SPLASH splash10-056v-9400000000-5eeae58bcebe83c95ef9
Source of Spectrum K1-2018-4693-15 (DOI: 10.1002/ejoc.201800806)
Wiley ID 1894264