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N2,N5-Dibenzoyl-6-hydroxymethyl-5,6,7,8-tetrahydro-8-deaza-8-thiapterin
SpectraBase Compound ID 6BgNK0u3sU8
InChI InChI=1S/C21H18N4O4S/c26-11-15-12-30-19-16(25(15)20(29)14-9-5-2-6-10-14)18(28)23-21(24-19)22-17(27)13-7-3-1-4-8-13/h1-10,15,26H,11-12H2,(H2,22,23,24,27,28)
InChIKey LTENIHZEDZKQMF-UHFFFAOYSA-N
Mol Weight 422.46 g/mol
Molecular Formula C21H18N4O4S
Exact Mass 422.104876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nJsccbxz49
Name N2,N5-Dibenzoyl-6-hydroxymethyl-5,6,7,8-tetrahydro-8-deaza-8-thiapterin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O4S
InChI InChI=1S/C21H18N4O4S/c26-11-15-12-30-19-16(25(15)20(29)14-9-5-2-6-10-14)18(28)23-21(24-19)22-17(27)13-7-3-1-4-8-13/h1-10,15,26H,11-12H2,(H2,22,23,24,27,28)
InChIKey LTENIHZEDZKQMF-UHFFFAOYSA-N
Molecular Weight 422.459 g/mol
SMILES N1C(C=2N(C(CO)CSC2N=C1NC(=O)c1ccccc1)C(=O)c1ccccc1)=O
SPLASH splash10-0a4i-0920100000-ef33aef2e51f14441d6e
Source of Spectrum E1-40-51-12
Wiley ID 1519348