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[2x18O]-benzoic acid
SpectraBase Compound ID CT9tvDwisBQ
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i8+2,9+2
InChIKey WPYMKLBDIGXBTP-UUQIGZEMSA-N
Mol Weight 126.12 g/mol
Molecular Formula C7H618O2
Exact Mass 126.045269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AejU22tTQE3
Name [2x18O]-benzoic acid
Appearance White solid
Comments Original formula: C7H6[18O]2
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Formula C7H6O2
InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i8+2,9+2
InChIKey WPYMKLBDIGXBTP-UUQIGZEMSA-N
Instrument Name Varian Saturn 2000 ion
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9082
Molecular Weight 126.123 g/mol
SMILES [18OH]C(c1ccccc1)=[18O]
SPLASH splash10-056r-2900000000-0760086aa76469a6ee09
Source of Spectrum RCM-35-SM9-Figure S3 (A)
Wiley ID 1852113