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4-ACETOXYBENZO-KETOLACTONE
SpectraBase Compound ID H8cnkc6cr3Q
InChI InChI=1S/C16H18O5/c1-11(17)20-12-8-9-15-13(10-12)14(18)6-4-2-3-5-7-16(19)21-15/h8-10H,2-7H2,1H3
InChIKey AODXMMBNZLYLCI-UHFFFAOYSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOScHHEdtoS
Name (3,10-dioxo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl) acetate
CAS Registry Number 55129-61-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-11(17)20-12-8-9-15-13(10-12)14(18)6-4-2-3-5-7-16(19)21-15/h8-10H,2-7H2,1H3
InChIKey AODXMMBNZLYLCI-UHFFFAOYSA-N
Molecular Weight 290.315 g/mol
SMILES C1(=O)c2c(ccc(c2)OC(C)=O)OC(=O)CCCCCC1
SPLASH splash10-000f-9410000000-13585908feedde3f00e5
Source of Spectrum H-69-90-16
Synonyms Acetic acid (3,10-diketo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl) ester Acetic acid (3,10-dioxo-2-oxabicyclo[9.4.0]pentadeca-1(11),12,14-trien-13-yl) ester
Wiley ID 1293569