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3-(3-Methylbenzyl)-2-naphthoic acid
SpectraBase Compound ID 4J74EiZ1MJ8
InChI InChI=1S/C19H16O2/c1-13-5-4-6-14(9-13)10-17-11-15-7-2-3-8-16(15)12-18(17)19(20)21/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKey QAVXSLPZHJCJAX-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C19H16O2
Exact Mass 276.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXKc1FNLfnv
Name 3-(3-Methylbenzyl)-2-naphthoic acid
CAS Registry Number 69653-11-8
Comments Less than 3 mono-isotopic peaks
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Formula C19H16O2
InChI InChI=1S/C19H16O2/c1-13-5-4-6-14(9-13)10-17-11-15-7-2-3-8-16(15)12-18(17)19(20)21/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKey QAVXSLPZHJCJAX-UHFFFAOYSA-N
Molecular Weight 276.335 g/mol
SMILES OC(c1c(cc2c(c1)cccc2)Cc1cc(C)ccc1)=O
SPLASH splash10-0a4i-0090000000-bcdc67496a5e801780bd
Source of Spectrum J-44-1947-0
Wiley ID 1280536