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2-Propynoic-3-d acid, diphenylmethyl ester
SpectraBase Compound ID GqvSjxfNA8e
InChI InChI=1S/C16H12O2/c1-2-15(17)18-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H/i1D
InChIKey PZOCABPVIYNVEZ-MICDWDOJSA-N
Mol Weight 237.28 g/mol
Molecular Formula C16H112DO2
Exact Mass 237.090006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Lk3vcSueYj
Name 2-Propynoic-3-d acid, diphenylmethyl ester
Alternate Name(s) Diphenylmethyl (D)propiolate
CAS Registry Number 79710-40-0
Comments Less than 3 mono-isotopic peaks
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Formula C16H11DO2
InChI InChI=1S/C16H12O2/c1-2-15(17)18-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H/i1D
InChIKey PZOCABPVIYNVEZ-MICDWDOJSA-N
Molecular Weight 237.276 g/mol
SMILES C(C(OC(c1ccccc1)c1ccccc1)=O)#C[2D]
SPLASH splash10-000i-0090000000-ec1b5bb7a1b9a56a8afd
Source of Spectrum B-34-1475-0
Wiley ID 1238937