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2H-Pyran-5-carboxylic acid, 2-(acetyloxy)-4-(1-formyl-1-propenyl)-3,4-dihydro-, methyl ester, [2R-[2.alpha.,4.alpha.(E)]]-
SpectraBase Compound ID 5wCFSJGCV0t
InChI InChI=1S/C13H16O6/c1-4-9(6-14)10-5-12(19-8(2)15)18-7-11(10)13(16)17-3/h4,6-7,10,12H,5H2,1-3H3/b9-4-/t10-,12-/m1/s1
InChIKey OWVOMJWZYWYNQM-KAEJYBMCSA-N
Mol Weight 268.26 g/mol
Molecular Formula C13H16O6
Exact Mass 268.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JABEkvcaVLF
Name 2H-Pyran-5-carboxylic acid, 2-(acetyloxy)-4-(1-formyl-1-propenyl)-3,4-dihydro-, methyl ester, [2R-[2.alpha.,4.alpha.(E)]]-
Alternate Name(s) Methyl (2R,4R)-2-(acetyloxy)-4-[(1E)-1-formyl-1-propenyl]-3,4-dihydro-2H-pyran-5-carboxylate Methyl ester of 2.alpha.,.beta.-acetoxy-4.alpha.-(1-formyl-(E)-1-propenyl)-3,4-dihydro-2H-pyran-5-carboxylic acid
CAS Registry Number 61600-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O6
InChI InChI=1S/C13H16O6/c1-4-9(6-14)10-5-12(19-8(2)15)18-7-11(10)13(16)17-3/h4,6-7,10,12H,5H2,1-3H3/b9-4-/t10-,12-/m1/s1
InChIKey OWVOMJWZYWYNQM-KAEJYBMCSA-N
Molecular Weight 268.265 g/mol
SMILES C=1([C@@](\C(=C/C)C=O)(C[C@](OC1)(OC(=O)C)[H])[H])C(=O)OC
SPLASH splash10-001i-0970000000-576de48aff62158ecba5
Source of Spectrum K-109-3645-0
Wiley ID 1271835