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BENZO-KETOLACTONE
SpectraBase Compound ID 6kaRxSqWMxd
InChI InChI=1S/C13H14O3/c14-11-6-2-4-8-13(15)16-12-7-3-1-5-10(12)9-11/h1,3,5,7H,2,4,6,8-9H2
InChIKey NWWQBOWBJPXIFD-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tLihFsNpvf
Name 3,4,5,6-Tetrahydro-2H-1-benzoxecine-2,7(8H)-dione
CAS Registry Number 59528-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c14-11-6-2-4-8-13(15)16-12-7-3-1-5-10(12)9-11/h1,3,5,7H,2,4,6,8-9H2
InChIKey NWWQBOWBJPXIFD-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C1(=O)CCCCC(Cc2ccccc2O1)=O
SPLASH splash10-0a4i-9510000000-d8d5b3dfc460a0a28aac
Synonyms 2H-1-Benzoxecin-2,7(8H)-dione, 3,4,5,6-tetrahydro- 4,5,6,8-tetrahydro-3H-1-benzoxecin-2,7-dione 4,5,6,8-tetrahydro-3H-1-benzoxecin-2,7-quinone 4,5,6,8-tetrahydro-3H-1-benzoxecine-2,7-dione
Wiley ID 1489226