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5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-
SpectraBase Compound ID 8DO4kH7Cibh
InChI InChI=1S/C9H8O3/c10-9-7-3-1-2-4-8(7)11-5-6-12-9/h1-4H,5-6H2
InChIKey PYVNMBGWXYJCCL-UHFFFAOYSA-N
Mol Weight 164.16 g/mol
Molecular Formula C9H8O3
Exact Mass 164.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RdTCYsQ1Nj
Name 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-
CAS Registry Number 22891-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O3
InChI InChI=1S/C9H8O3/c10-9-7-3-1-2-4-8(7)11-5-6-12-9/h1-4H,5-6H2
InChIKey PYVNMBGWXYJCCL-UHFFFAOYSA-N
Molecular Weight 164.160 g/mol
SMILES c12C(OCCOc2cccc1)=O
SPLASH splash10-0bt9-1900000000-42fd483bc50edd1d4f0a
Source of Spectrum J-51-3019-1
Synonyms 2,3-Dihydro-5H-1,4-benzodioxepin-5-one 2,3-Dihydro-1,4-benzodioxepin-5-one BRN 0004464
Wiley ID 1160097