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1-[2-(4-Iodobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID D8Q52IA7DES
InChI InChI=1S/C19H23IN2O6/c1-26-17(23)13-16(19(25)27-2)22-9-7-21(8-10-22)11-12-28-18(24)14-3-5-15(20)6-4-14/h3-6,13H,7-12H2,1-2H3/b16-13+
InChIKey SXRVSQXFDDZHGO-DTQAZKPQSA-N
Mol Weight 502.31 g/mol
Molecular Formula C19H23IN2O6
Exact Mass 502.060081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WdWowiLlEF
Name 1-[2-(4-Iodobenzoyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23IN2O6
InChI InChI=1S/C19H23IN2O6/c1-26-17(23)13-16(19(25)27-2)22-9-7-21(8-10-22)11-12-28-18(24)14-3-5-15(20)6-4-14/h3-6,13H,7-12H2,1-2H3/b16-13+
InChIKey SXRVSQXFDDZHGO-DTQAZKPQSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 502.305 g/mol
SMILES c1(ccc(cc1)I)C(=O)OCCN1CCN(CC1)\C(C(=O)OC)=C/C(=O)OC
SPLASH splash10-0006-2191100000-8c2eed5e8bd30118b739
Source of Spectrum RSA-5-10768/SM-24a
Synonyms Dimethyl 2-(4-(2-((4-iodobenzoyl)oxy)ethyl)piperazin-1-yl)maleate
Wiley ID 1760180