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2-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentanone
SpectraBase Compound ID 5U2YIl9QZbw
InChI InChI=1S/C13H14O3/c14-11-3-1-2-10(11)6-9-4-5-12-13(7-9)16-8-15-12/h4-5,7,10H,1-3,6,8H2
InChIKey IELMGRNSHKUPRT-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ri0ftypLdE
Name 2-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentanone
Alternate Name(s) 2-(1,3-benzodioxol-5-ylmethyl)cyclopentan-1-one 2-(1,3-benzodioxol-5-ylmethyl)cyclopentanone 2-Piperonylcyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c14-11-3-1-2-10(11)6-9-4-5-12-13(7-9)16-8-15-12/h4-5,7,10H,1-3,6,8H2
InChIKey IELMGRNSHKUPRT-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES c12c(OCO2)ccc(CC2C(=O)CCC2)c1
SPLASH splash10-000i-1930000000-36e682398e5d4f5d16fc
Source of Spectrum H-84-168-2
Wiley ID 847442