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1,2-Butanedione, 1-[6-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl]-
SpectraBase Compound ID 8dgs19QkVbI
InChI InChI=1S/C17H19NO5/c1-2-13(19)17(21)12-9-15-14(22-10-23-15)8-11(12)5-7-18-6-3-4-16(18)20/h8-9H,2-7,10H2,1H3
InChIKey BLPKBJJDDTZFKV-UHFFFAOYSA-N
Mol Weight 317.34 g/mol
Molecular Formula C17H19NO5
Exact Mass 317.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GP3BUX0xjna
Name 1,2-Butanedione, 1-[6-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl]-
CAS Registry Number 124021-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5
InChI InChI=1S/C17H19NO5/c1-2-13(19)17(21)12-9-15-14(22-10-23-15)8-11(12)5-7-18-6-3-4-16(18)20/h8-9H,2-7,10H2,1H3
InChIKey BLPKBJJDDTZFKV-UHFFFAOYSA-N
Molecular Weight 317.341 g/mol
SMILES c1(C(C(=O)CC)=O)c(cc2c(c1)OCO2)CCN1C(=O)CCC1
SPLASH splash10-03di-0190000000-3a7956874c8bf83ee33d
Source of Spectrum J-55-837-40
Synonyms 1-{6-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl}-1,2-butanedione
Wiley ID 1317668