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Diphenylmethyl 6-[3-(benzo[d][1,3]-dioxolan-2-yl)acylamino]penicillanate
SpectraBase Compound ID KEclX5oWAL6
InChI InChI=1S/C31H28N2O6S/c1-31(2)27(30(36)39-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21)33-28(35)25(29(33)40-31)32-24(34)16-14-19-13-15-22-23(17-19)38-18-37-22/h3-17,25-27,29H,18H2,1-2H3,(H,32,34)/b16-14+/t25-,27+,29-/m1/s1
InChIKey LIZDCMZACDGKBC-IAUDTTEXSA-N
Mol Weight 556.63 g/mol
Molecular Formula C31H28N2O6S
Exact Mass 556.166808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Lw2xmDUNCG
Name Diphenylmethyl 6-[3-(benzo[d][1,3]-dioxolan-2-yl)acylamino]penicillanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28N2O6S
InChI InChI=1S/C31H28N2O6S/c1-31(2)27(30(36)39-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21)33-28(35)25(29(33)40-31)32-24(34)16-14-19-13-15-22-23(17-19)38-18-37-22/h3-17,25-27,29H,18H2,1-2H3,(H,32,34)/b16-14+/t25-,27+,29-/m1/s1
InChIKey LIZDCMZACDGKBC-IAUDTTEXSA-N
Molecular Weight 556.633 g/mol
SMILES N([C@@]1(C(N2[C@@]1(SC([C@@]2(C(OC(c1ccccc1)c1ccccc1)=O)[H])(C)C)[H])=O)[H])C(\C=C\c1cc2OCOc2cc1)=O
SPLASH splash10-016r-0900000000-7d60b6347d508c4b3d97
Source of Spectrum Y1-46-1130-12
Wiley ID 1622379