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5-(1,3-benzodioxol-5-yl)pentanal
SpectraBase Compound ID EIWLP5Y7DCV
InChI InChI=1S/C12H14O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h5-8H,1-4,9H2
InChIKey ISRJXCYJXRFTEB-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 4qRhy2YX7Ho
Name 5-(1,3-benzodioxol-5-yl)pentanal
CAS Registry Number 58403-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c13-7-3-1-2-4-10-5-6-11-12(8-10)15-9-14-11/h5-8H,1-4,9H2
InChIKey ISRJXCYJXRFTEB-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES c12c(OCO2)ccc(c1)CCCCC=O
SPLASH splash10-000i-3920000000-8959b370993d4f6d427b
Source of Spectrum KC-1982-1496-0
Wiley ID 1204385