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N,N'-(phenoxathiine-4,6-dicarbonyl)bis(proline-methylester)
SpectraBase Compound ID HKlZdCRI0hq
InChI InChI=1S/C26H26N2O7S/c1-33-25(31)17-9-5-13-27(17)23(29)15-7-3-11-19-21(15)35-22-16(8-4-12-20(22)36-19)24(30)28-14-6-10-18(28)26(32)34-2/h3-4,7-8,11-12,17-18H,5-6,9-10,13-14H2,1-2H3
InChIKey MUPQJRLJCMONOG-UHFFFAOYSA-N
Mol Weight 510.56 g/mol
Molecular Formula C26H26N2O7S
Exact Mass 510.146072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As8Sd6sLH7Q
Name N,N'-(phenoxathiine-4,6-dicarbonyl)bis(proline-methylester)
Alternate Name(s) Dimethyl phenoxathiine-4,6-di(oxopyrrolidinecarboxylate) Methyl 1-[(6-{[2-(methoxycarbonyl)-1-pyrrolidinyl]carbonyl}-4-phenoxathiinyl)carbonyl]-2-pyrrolidinecarboxylate
CAS Registry Number 126755-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O7S
InChI InChI=1S/C26H26N2O7S/c1-33-25(31)17-9-5-13-27(17)23(29)15-7-3-11-19-21(15)35-22-16(8-4-12-20(22)36-19)24(30)28-14-6-10-18(28)26(32)34-2/h3-4,7-8,11-12,17-18H,5-6,9-10,13-14H2,1-2H3
InChIKey MUPQJRLJCMONOG-UHFFFAOYSA-N
Molecular Weight 510.561 g/mol
SMILES C(N1C(C(=O)OC)CCC1)(c1c2Oc3c(C(N4C(C(=O)OC)CCC4)=O)cccc3Sc2ccc1)=O
SPLASH splash10-0a6r-0491020000-994c44be9a3b55ef60a5
Source of Spectrum K-123-1582-1
Wiley ID 1400466