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N-phthaloylalanyl-.alpha.-deuterioglycine Methyl Ester
SpectraBase Compound ID AI8DeWGi0ml
InChI InChI=1S/C14H14N2O5/c1-8(12(18)15-7-11(17)21-2)16-13(19)9-5-3-4-6-10(9)14(16)20/h3-6,8H,7H2,1-2H3,(H,15,18)/t8-/m0/s1/i7D/t7?,8-
InChIKey XAASUSYDEFUYIL-HWHGMGJOSA-N
Mol Weight 291.28 g/mol
Molecular Formula C14H132DN2O5
Exact Mass 291.096548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5t4z2Doqeg4
Name N-phthaloylalanyl-.alpha.-deuterioglycine Methyl Ester
CAS Registry Number 135395-22-1
Comments Less than 3 mono-isotopic peaks
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Formula C14H13DN2O5
InChI InChI=1S/C14H14N2O5/c1-8(12(18)15-7-11(17)21-2)16-13(19)9-5-3-4-6-10(9)14(16)20/h3-6,8H,7H2,1-2H3,(H,15,18)/t8-/m0/s1/i7D/t7?,8-
InChIKey XAASUSYDEFUYIL-HWHGMGJOSA-N
Molecular Weight 291.281 g/mol
SMILES N(C([C@@](N1C(c2ccccc2C1=O)=O)(C)[H])=O)C(C(=O)OC)[2D]
SPLASH splash10-001o-0090000000-09c78499f6554333b6e6
Source of Spectrum J-56-5618-21
Wiley ID 1293315