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7-[N-(Benzylcarbonyl)amino]-3-(3'-methylisoxazolyl)-cephalosporin
SpectraBase Compound ID BreIhz0Ch3Z
InChI InChI=1S/C20H21N3O5S/c1-11-8-14(28-22-11)13-10-29-19-16(18(25)23(19)17(13)20(26)27-2)21-15(24)9-12-6-4-3-5-7-12/h3-7,14,16,19H,8-10H2,1-2H3,(H,21,24)/t14?,16-,19-/m1/s1
InChIKey ZZHNJRKPCDJGMH-JDQGPONISA-N
Mol Weight 415.46 g/mol
Molecular Formula C20H21N3O5S
Exact Mass 415.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s0z9mwF95N
Name 7-[N-(Benzylcarbonyl)amino]-3-(3'-methylisoxazolyl)-cephalosporin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O5S
InChI InChI=1S/C20H21N3O5S/c1-11-8-14(28-22-11)13-10-29-19-16(18(25)23(19)17(13)20(26)27-2)21-15(24)9-12-6-4-3-5-7-12/h3-7,14,16,19H,8-10H2,1-2H3,(H,21,24)/t14?,16-,19-/m1/s1
InChIKey ZZHNJRKPCDJGMH-JDQGPONISA-N
Molecular Weight 415.464 g/mol
SMILES N([C@]1([C@@]2(N(C1=O)C(=C(C1ON=C(C1)C)CS2)C(=O)OC)[H])[H])C(=O)Cc1ccccc1
SPLASH splash10-00kb-0922000000-185f2e1d781c52c82af1
Source of Spectrum SK-24-249-2
Wiley ID 866076