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Benzyl 6-[3-(benzo[d][1,3]-dioxolan-2-yl)acylamino]penicillanate
SpectraBase Compound ID DA2p7O0qegd
InChI InChI=1S/C25H24N2O6S/c1-25(2)21(24(30)31-13-16-6-4-3-5-7-16)27-22(29)20(23(27)34-25)26-19(28)11-9-15-8-10-17-18(12-15)33-14-32-17/h3-12,20-21,23H,13-14H2,1-2H3,(H,26,28)/b11-9+/t20-,21+,23-/m1/s1
InChIKey QNKWIIDMTORKEU-AABRQCJBSA-N
Mol Weight 480.54 g/mol
Molecular Formula C25H24N2O6S
Exact Mass 480.135508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJYUyTBItGl
Name Benzyl 6-[3-(benzo[d][1,3]-dioxolan-2-yl)acylamino]penicillanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O6S
InChI InChI=1S/C25H24N2O6S/c1-25(2)21(24(30)31-13-16-6-4-3-5-7-16)27-22(29)20(23(27)34-25)26-19(28)11-9-15-8-10-17-18(12-15)33-14-32-17/h3-12,20-21,23H,13-14H2,1-2H3,(H,26,28)/b11-9+/t20-,21+,23-/m1/s1
InChIKey QNKWIIDMTORKEU-AABRQCJBSA-N
Molecular Weight 480.535 g/mol
SMILES N([C@@]1(C(N2[C@@]1(SC([C@@]2(C(OCc1ccccc1)=O)[H])(C)C)[H])=O)[H])C(\C=C\c1cc2OCOc2cc1)=O
SPLASH splash10-0f96-9740200000-b5e61ab67f425a7cdd2f
Source of Spectrum Y1-46-1130-12
Wiley ID 1622380