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4-acetonyl-5-(methoxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 43cUMSOhaXL
InChI InChI=1S/C15H18O7/c1-8(16)6-15-9(7-19-2)5-10(22-15)11(13(17)20-3)12(15)14(18)21-4/h5,10H,6-7H2,1-4H3/t10-,15+/m1/s1
InChIKey HSABIXCIORCQPN-UHFFFAOYSA-N
Mol Weight 310.3 g/mol
Molecular Formula C15H18O7
Exact Mass 310.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12FYOOlUPrn
Name 4-acetonyl-5-(methoxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester
CAS Registry Number 106710-23-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O7
InChI InChI=1S/C15H18O7/c1-8(16)6-15-9(7-19-2)5-10(22-15)11(13(17)20-3)12(15)14(18)21-4/h5,10H,6-7H2,1-4H3/t10-,15+/m1/s1
InChIKey HSABIXCIORCQPN-UHFFFAOYSA-N
Molecular Weight 310.302 g/mol
SMILES C=1([C@]2(O[C@@](C1C(=O)OC)(C=C2COC)[H])CC(=O)C)C(=O)OC
SPLASH splash10-014i-0900000000-4f2e52414c7e3be61189
Source of Spectrum K-120-778-0
Synonyms 5-(methoxymethyl)-4-(2-oxopropyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester dimethyl 4-acetonyl-5-(methoxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate dimethyl 5-(methoxymethyl)-4-(2-oxidanylidenepropyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate dimethyl 5-(methoxymethyl)-4-(2-oxopropyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Wiley ID 1311263