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3H-1,5-benzodioxepine-2,4-dione
SpectraBase Compound ID 1mIA68PvgjJ
InChI InChI=1S/C9H6O4/c10-8-5-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2
InChIKey LFDUVPIOAOLHEJ-UHFFFAOYSA-N
Mol Weight 178.14 g/mol
Molecular Formula C9H6O4
Exact Mass 178.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6H8Bm6ddh7D
Name 3H-1,5-benzodioxepine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O4
InChI InChI=1S/C9H6O4/c10-8-5-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2
InChIKey LFDUVPIOAOLHEJ-UHFFFAOYSA-N
Instrument Name VG Analytical ZAB2F
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290050310
Molecular Weight 178.143 g/mol
SMILES c1cc2c(cc1)OC(CC(O2)=O)=O
SPLASH splash10-03di-0900000000-c6551a6054e6b77de62c
Source of Spectrum RCM-5-138-8
Wiley ID 1837228