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3-Isobutyrylbicyclo[2.2.1]hept-5-en-2-yl acetate
SpectraBase Compound ID DQVefjaIgIq
InChI InChI=1S/C13H18O3/c1-7(2)12(15)11-9-4-5-10(6-9)13(11)16-8(3)14/h4-5,7,9-11,13H,6H2,1-3H3
InChIKey QUSDEQGKHGXEJA-UHFFFAOYSA-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 CaEszzXX3fU
Name 3-Isobutyrylbicyclo[2.2.1]hept-5-en-2-yl acetate
Alternate Name(s) 1-Propanone, 1-[3-(acetyloxy)bicyclo[2.2.1]hept-5-en-2-yl]-2-methyl-, (2-endo,3-exo)- Acetic acid (2-isobutyryl-3-bicyclo[2.2.1]hept-5-enyl) ester Acetic acid [2-(2-methyl-1-oxopropyl)-3-bicyclo[2.2.1]hept-5-enyl] ester [2-(2-methylpropanoyl)-3-bicyclo[2.2.1]hept-5-enyl] acetate
CAS Registry Number 51731-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-7(2)12(15)11-9-4-5-10(6-9)13(11)16-8(3)14/h4-5,7,9-11,13H,6H2,1-3H3
InChIKey QUSDEQGKHGXEJA-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C(=O)(C1C(C2C=CC1C2)OC(=O)C)C(C)C
SPLASH splash10-014i-9600000000-ef8f2cc911f212da177b
Wiley ID 1488686