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3-(5-Benzyloxy-2-bromo-4-methoxy-3-methylphenylmethyl)-4-isopropyloxycarbonyl-1-methylpiperazinedione
SpectraBase Compound ID 79xlwZXf0Bo
InChI InChI=1S/C25H29BrN2O6/c1-15(2)34-25(31)28-19(24(30)27(4)13-21(28)29)11-18-12-20(23(32-5)16(3)22(18)26)33-14-17-9-7-6-8-10-17/h6-10,12,15,19H,11,13-14H2,1-5H3
InChIKey CBMRTWPFUCULDI-UHFFFAOYSA-N
Mol Weight 533.42 g/mol
Molecular Formula C25H29BrN2O6
Exact Mass 532.1209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYC75Z7cY5U
Name 3-(5-Benzyloxy-2-bromo-4-methoxy-3-methylphenylmethyl)-4-isopropyloxycarbonyl-1-methylpiperazinedione
Alternate Name(s) isopropyl 2-[5-(benzyloxy)-2-bromo-4-methoxy-3-methylbenzyl]-4-methyl-3,6-dioxo-1-piperazinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29BrN2O6
InChI InChI=1S/C25H29BrN2O6/c1-15(2)34-25(31)28-19(24(30)27(4)13-21(28)29)11-18-12-20(23(32-5)16(3)22(18)26)33-14-17-9-7-6-8-10-17/h6-10,12,15,19H,11,13-14H2,1-5H3
InChIKey CBMRTWPFUCULDI-UHFFFAOYSA-N
Molecular Weight 533.419 g/mol
SMILES C(N1C(C(=O)N(CC1=O)C)Cc1c(c(C)c(c(c1)OCc1ccccc1)OC)Br)(OC(C)C)=O
SPLASH splash10-0uxu-7037940000-635b7bbdcba88a6ac1c0
Source of Spectrum E2-48-1556-26
Wiley ID 1555416