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2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidene-pentane-1,5-dione

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2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidene-pentane-1,5-dione
SpectraBase Compound ID EAuRH94v0Pw
InChI InChI=1S/C31H41Cl2NO4/c1-4-6-20-37-28-12-8-25(9-13-28)30(35)24(3)22-27(23-34(18-16-32)19-17-33)31(36)26-10-14-29(15-11-26)38-21-7-5-2/h8-15,27H,3-7,16-23H2,1-2H3
InChIKey SLNUYDCJEPPESM-UHFFFAOYSA-N
Mol Weight 562.6 g/mol
Molecular Formula C31H41Cl2NO4
Exact Mass 561.241264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wWqzi71AJV
Name 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidene-pentane-1,5-dione
Alternate Name(s) 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylenepentane-1,5-dione 2-[bis(2-chloroethyl)aminomethyl]-1,5-bis(4-butoxyphenyl)-4-methylidenepentane-1,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H41Cl2NO4
InChI InChI=1S/C31H41Cl2NO4/c1-4-6-20-37-28-12-8-25(9-13-28)30(35)24(3)22-27(23-34(18-16-32)19-17-33)31(36)26-10-14-29(15-11-26)38-21-7-5-2/h8-15,27H,3-7,16-23H2,1-2H3
InChIKey SLNUYDCJEPPESM-UHFFFAOYSA-N
Molecular Weight 562.578 g/mol
SMILES C(CC(=C)C(c1ccc(cc1)OCCCC)=O)(CN(CCCl)CCCl)C(=O)c1ccc(cc1)OCCCC
SPLASH splash10-03du-9300000000-02e6bc40897992739d45
Wiley ID 1443978