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2H-Pyran-4-acetic acid, 3-ethenyl-3,4-dihydro-2-methoxy-5-(methoxycarbonyl)-, methyl ester
SpectraBase Compound ID KmAAoIxBVdy
InChI InChI=1S/C13H18O6/c1-5-8-9(6-11(14)16-2)10(12(15)17-3)7-19-13(8)18-4/h5,7-9,13H,1,6H2,2-4H3
InChIKey AQVYQRUNDVVTHF-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C13H18O6
Exact Mass 270.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XdTCvEvvrO
Name 2H-Pyran-4-acetic acid, 3-ethenyl-3,4-dihydro-2-methoxy-5-(methoxycarbonyl)-, methyl ester
Alternate Name(s) Dimethyl secologanoside o-methyl ether Methyl 2-methoxy-4-(2-methoxy-2-oxoethyl)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate
CAS Registry Number 121866-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O6
InChI InChI=1S/C13H18O6/c1-5-8-9(6-11(14)16-2)10(12(15)17-3)7-19-13(8)18-4/h5,7-9,13H,1,6H2,2-4H3
InChIKey AQVYQRUNDVVTHF-UHFFFAOYSA-N
Molecular Weight 270.281 g/mol
SMILES C=1(C(C(C=C)C(OC1)OC)CC(=O)OC)C(=O)OC
SPLASH splash10-003r-9840000000-20a0893a5b12fc981b7f
Source of Spectrum J-54-4087-1
Wiley ID 1273852