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7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1-methyl-3-propylidene-, ethyl ester, (1.alpha.,2.alpha.,3E,4.alpha.)-
SpectraBase Compound ID 1yMjaBIEJMQ
InChI InChI=1S/C13H18O3/c1-4-6-9-10-7-8-13(3,16-10)11(9)12(14)15-5-2/h6-8,10-11H,4-5H2,1-3H3/b9-6-/t10-,11?,13+/m1/s1
InChIKey SPWXWEHAVJHYEZ-SVGQNBPHSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID r91ryzo1Xw
Name 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1-methyl-3-propylidene-, ethyl ester, (1.alpha.,2.alpha.,3E,4.alpha.)-
Alternate Name(s) exo 1-methyl-2-ethoxycarbonyl-3(Z)-propylidene-7-oxabicyclo[2.2.1]hept-5-ene endo 1-methyl-2-ethoxycarbonyl-3(Z)-propylidene-7-oxabicyclo[2.2.1]hept-5-ene ethyl (1R,2R,3E,4R)-1-methyl-3-propylidene-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CAS Registry Number 131100-36-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-6-9-10-7-8-13(3,16-10)11(9)12(14)15-5-2/h6-8,10-11H,4-5H2,1-3H3/b9-6-/t10-,11?,13+/m1/s1
InChIKey SPWXWEHAVJHYEZ-SVGQNBPHSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12(C(\C(=C/CC)[C@@](O2)([H])C=C1)C(=O)OCC)C
SPLASH splash10-014i-0900000000-e0b865b5b264ebcc6486
Source of Spectrum KC-1990-2191-5
Wiley ID 1222633