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Methyl {2-[2-[N-Benzyl-N-[4-(4-iodophenyl)butyl]amino]-3-methylbutoxymethyl}prop-2-enoate
SpectraBase Compound ID 92QzxsgCKYD
InChI InChI=1S/C27H36INO3/c1-21(2)26(20-32-19-22(3)27(30)31-4)29(18-24-11-6-5-7-12-24)17-9-8-10-23-13-15-25(28)16-14-23/h5-7,11-16,21,26H,3,8-10,17-20H2,1-2,4H3/t26-/m1/s1
InChIKey QEUQIFHYVLPRGK-AREMUKBSSA-N
Mol Weight 549.5 g/mol
Molecular Formula C27H36INO3
Exact Mass 549.173989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r4gsmJEFc8
Name Methyl {2-[2-[N-Benzyl-N-[4-(4-iodophenyl)butyl]amino]-3-methylbutoxymethyl}prop-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36INO3
InChI InChI=1S/C27H36INO3/c1-21(2)26(20-32-19-22(3)27(30)31-4)29(18-24-11-6-5-7-12-24)17-9-8-10-23-13-15-25(28)16-14-23/h5-7,11-16,21,26H,3,8-10,17-20H2,1-2,4H3/t26-/m1/s1
InChIKey QEUQIFHYVLPRGK-AREMUKBSSA-N
Molecular Weight 549.493 g/mol
SMILES C(C(=O)OC)(=C)COC[C@@](N(Cc1ccccc1)CCCCc1ccc(cc1)I)(C(C)C)[H]
SPLASH splash10-0ab9-0000890000-b8f613c4dc29a8b0b3f0
Source of Spectrum QE-11-77-4
Wiley ID 1586535