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pseudogem-aldehydocarboxy(2.2)paracyclophenane
SpectraBase Compound ID Aghzno5tawd
InChI InChI=1S/C18H16O3/c19-11-16-9-12-1-2-13-4-6-15(17(10-13)18(20)21)8-7-14(16)5-3-12/h3-6,9-11H,1-2,7-8H2,(H,20,21)
InChIKey JJGPGFHUZYWMAF-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgKxzluz9A1
Name pseudogem-aldehydocarboxy(2.2)paracyclophenane
CAS Registry Number 74498-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O3
InChI InChI=1S/C18H16O3/c19-11-16-9-12-1-2-13-4-6-15(17(10-13)18(20)21)8-7-14(16)5-3-12/h3-6,9-11H,1-2,7-8H2,(H,20,21)
InChIKey JJGPGFHUZYWMAF-UHFFFAOYSA-N
Molecular Weight 280.323 g/mol
SMILES OC(c1c2CCc3c(C=O)cc(CCc(c1)cc2)cc3)=O
SPLASH splash10-001i-1920000000-6c1d719f8ac3659c550e
Source of Spectrum J-45-3978-0
Synonyms 12-formyltricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid
Wiley ID 1284251