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pseudogem-carboxy(hydroxymethyl)(2.2)paracyclophane
SpectraBase Compound ID GfOeOJTRvfp
InChI InChI=1S/C18H18O3/c19-11-16-9-12-1-2-13-4-6-15(17(10-13)18(20)21)8-7-14(16)5-3-12/h3-6,9-10,19H,1-2,7-8,11H2,(H,20,21)
InChIKey OQGCOFCDPLZJDO-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9o2gwZGAQE
Name pseudogem-carboxy(hydroxymethyl)(2.2)paracyclophane
CAS Registry Number 74498-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c19-11-16-9-12-1-2-13-4-6-15(17(10-13)18(20)21)8-7-14(16)5-3-12/h3-6,9-10,19H,1-2,7-8,11H2,(H,20,21)
InChIKey OQGCOFCDPLZJDO-UHFFFAOYSA-N
Molecular Weight 282.339 g/mol
SMILES OC(c1c2CCc3c(CO)cc(CCc(c1)cc2)cc3)=O
SPLASH splash10-0n2a-2910000000-0ad77f40bf1336e11cd4
Source of Spectrum J-45-3978-0
Synonyms 12-(hydroxymethyl)tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid
Wiley ID 1286229