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4-(Hydroxymethyl)-9-(methoxymethyl)-8,13-dioxo-7,12-dioxatricyclo-pentadeca-1(15),4-diene
SpectraBase Compound ID 4NBFwVbUkaK
InChI InChI=1S/C16H20O6/c1-20-8-11-14-12(22-16(11)19)5-9(7-17)3-2-4-10-6-13(14)21-15(10)18/h4-5,11-14,17H,2-3,6-8H2,1H3/b9-5?,10-4+/t11-,12+,13+,14-/m0/s1
InChIKey WEMDCJSTQBTDJY-VQDULSHMSA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FodDdzPxHCQ
Name 4-(Hydroxymethyl)-9-(methoxymethyl)-8,13-dioxo-7,12-dioxatricyclo-pentadeca-1(15),4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-20-8-11-14-12(22-16(11)19)5-9(7-17)3-2-4-10-6-13(14)21-15(10)18/h4-5,11-14,17H,2-3,6-8H2,1H3/b9-5?,10-4+/t11-,12+,13+,14-/m0/s1
InChIKey WEMDCJSTQBTDJY-VQDULSHMSA-N
Molecular Weight 308.330 g/mol
SMILES OCC1=C[C@]2(OC([C@]([C@@]2([C@@]2(OC(=O)\C(C2)=C\CC1)[H])[H])(COC)[H])=O)[H]
SPLASH splash10-001i-0090000000-dccbc1eb56451e47b0ef
Source of Spectrum X2-50-171-5
Wiley ID 1602175