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8-Homopiperonyl-6-methyl-6,9-dihydro-[1,3]dioxol[4,5-h]isoquinolin-7-one
SpectraBase Compound ID 2LbivPANpWJ
InChI InChI=1S/C20H19NO5/c1-12-14-3-5-17-19(26-11-24-17)15(14)9-21(20(12)22)7-6-13-2-4-16-18(8-13)25-10-23-16/h2-5,8,12H,6-7,9-11H2,1H3
InChIKey VFIXEDXPKZDJPU-UHFFFAOYSA-N
Mol Weight 353.37 g/mol
Molecular Formula C20H19NO5
Exact Mass 353.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiuQ55GEXVc
Name 8-Homopiperonyl-6-methyl-6,9-dihydro-[1,3]dioxol[4,5-h]isoquinolin-7-one
Alternate Name(s) 8-[2-(1,3-benzodioxol-5-yl)ethyl]-6-methyl-6,9-dihydro-[1,3]dioxolo[4,5-h]isoquinolin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO5
InChI InChI=1S/C20H19NO5/c1-12-14-3-5-17-19(26-11-24-17)15(14)9-21(20(12)22)7-6-13-2-4-16-18(8-13)25-10-23-16/h2-5,8,12H,6-7,9-11H2,1H3
InChIKey VFIXEDXPKZDJPU-UHFFFAOYSA-N
Molecular Weight 353.374 g/mol
SMILES C1N(C(C(c2ccc3c(c12)OCO3)C)=O)CCc1cc2c(cc1)OCO2
SPLASH splash10-0002-0910000000-bd15b2a841e65a669bea
Source of Spectrum E2-48-403-19
Wiley ID 1555173