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Methyl 6-[3-(benzo[d][1,3]-dioxolan-2-yl)acylamino]penicillanate
SpectraBase Compound ID ErV2ZN6kj9r
InChI InChI=1S/C19H20N2O6S/c1-19(2)15(18(24)25-3)21-16(23)14(17(21)28-19)20-13(22)7-5-10-4-6-11-12(8-10)27-9-26-11/h4-8,14-15,17H,9H2,1-3H3,(H,20,22)/b7-5+/t14-,15+,17-/m1/s1
InChIKey GRHIPSFVRRXMHW-QYMIHNKOSA-N
Mol Weight 404.44 g/mol
Molecular Formula C19H20N2O6S
Exact Mass 404.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsEnbN7a2rT
Name Methyl 6-[3-(benzo[d][1,3]-dioxolan-2-yl)acylamino]penicillanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O6S
InChI InChI=1S/C19H20N2O6S/c1-19(2)15(18(24)25-3)21-16(23)14(17(21)28-19)20-13(22)7-5-10-4-6-11-12(8-10)27-9-26-11/h4-8,14-15,17H,9H2,1-3H3,(H,20,22)/b7-5+/t14-,15+,17-/m1/s1
InChIKey GRHIPSFVRRXMHW-QYMIHNKOSA-N
Molecular Weight 404.437 g/mol
SMILES N([C@@]1(C(N2[C@@]1(SC([C@@]2(C(=O)OC)[H])(C)C)[H])=O)[H])C(\C=C\c1cc2OCOc2cc1)=O
SPLASH splash10-00di-0901000000-b8835282aaf25750293f
Source of Spectrum Y1-46-1129-5
Wiley ID 1622382