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Penicilin s-oxide

View entire compound with spectra: 1 MS (GC)

Penicilin s-oxide
SpectraBase Compound ID 1OLQO89D3s9
InChI InChI=1S/C28H26N2O5S/c1-28(2)23(27(33)35-22(18-12-6-3-7-13-18)19-14-8-4-9-15-19)30-25(32)21(26(30)36(28)34)29-24(31)20-16-10-5-11-17-20/h3-17,21-23,26H,1-2H3,(H,29,31)
InChIKey MPRIHCHLMOZDFF-UHFFFAOYSA-N
Mol Weight 502.59 g/mol
Molecular Formula C28H26N2O5S
Exact Mass 502.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TVT8t0Dfz
Name Penicilin s-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26N2O5S
InChI InChI=1S/C28H26N2O5S/c1-28(2)23(27(33)35-22(18-12-6-3-7-13-18)19-14-8-4-9-15-19)30-25(32)21(26(30)36(28)34)29-24(31)20-16-10-5-11-17-20/h3-17,21-23,26H,1-2H3,(H,29,31)
InChIKey MPRIHCHLMOZDFF-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 502.585 g/mol
SMILES N(C1C(N2C1S(C(C2C(=O)OC(c1ccccc1)c1ccccc1)(C)C)=O)=O)C(c1ccccc1)=O
SPLASH splash10-014j-0900000000-231b417f375d94361179
Source of Spectrum SRH-2022-11081-0
Wiley ID 1832687