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1-(benzo[d][1,3]dioxol-4-yl)pentan-1-one
SpectraBase Compound ID 1Pljowpsahb
InChI InChI=1S/C12H14O3/c1-2-3-6-10(13)9-5-4-7-11-12(9)15-8-14-11/h4-5,7H,2-3,6,8H2,1H3
InChIKey JVGRLUFDWLVFNP-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqEOM4xY2oi
Name 1-(benzo[d][1,3]dioxol-4-yl)pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-3-6-10(13)9-5-4-7-11-12(9)15-8-14-11/h4-5,7H,2-3,6,8H2,1H3
InChIKey JVGRLUFDWLVFNP-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES c12c(cccc2C(CCCC)=O)OCO1
SPLASH splash10-01ot-2900000000-bb56d3f5010529a0521c
Source of Spectrum Professor Randall Clark, Department: Drug Discovery and Development, Auburn University, Harrison School of Pharmacy, 3306 Walker Building, Auburn, AL 36849
Wiley ID 1815904