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1,2-Pentane-1,1,5,5-D4-diamine, N2-[2-(ethyl-1,1-D2-amino)-3-phenylpropyl-1,1-D2]-N1-[4-(methyl-D3-am ino)-1-[[(trimethylsilyl)oxy]methyl-D2]butyl]-5-[(trimethylsilyl)oxy]-, [2S-[N1(R*),N2(R*),2R*]]-
SpectraBase Compound ID 1VBtchTIDPS
InChI InChI=1S/C28H58N4O2Si2/c1-9-30-28(21-25-15-11-10-12-16-25)23-31-26(18-14-20-33-35(3,4)5)22-32-27(17-13-19-29-2)24-34-36(6,7)8/h10-12,15-16,26-32H,9,13-14,17-24H2,1-8H3/i2D3,9D2,20D2,22D2,23D2,24D2
InChIKey KFUYENMQLFNUMH-ZJPMVAOBSA-N
Mol Weight 552.0 g/mol
Molecular Formula C28H452D13N4O2Si2
Exact Mass 551.491428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EVBpIg3y2o
Name 1,2-Pentane-1,1,5,5-D4-diamine, N2-[2-(ethyl-1,1-D2-amino)-3-phenylpropyl-1,1-D2]-N1-[4-(methyl-D3-am ino)-1-[[(trimethylsilyl)oxy]methyl-D2]butyl]-5-[(trimethylsilyl)oxy]-, [2S-[N1(R*),N2(R*),2R*]]-
Alternate Name(s) O-trimethysilylated(d13)-phe-glu-arg
CAS Registry Number 61075-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45D13N4O2Si2
InChI InChI=1S/C28H58N4O2Si2/c1-9-30-28(21-25-15-11-10-12-16-25)23-31-26(18-14-20-33-35(3,4)5)22-32-27(17-13-19-29-2)24-34-36(6,7)8/h10-12,15-16,26-32H,9,13-14,17-24H2,1-8H3/i2D3,9D2,20D2,22D2,23D2,24D2
InChIKey KFUYENMQLFNUMH-ZJPMVAOBSA-N
Molecular Weight 552.047 g/mol
SMILES N(C(CCCNC([2D])([2D])[2D])C(O[Si](C)(C)C)([2D])[2D])C(C(NC(C(NC(C)([2D])[2D])Cc1ccccc1)([2D])[2D])CCC(O[Si](C)(C)C)([2D])[2D])([2D])[2D]
SPLASH splash10-004r-6933000000-ef9b31462d6983fe237d
Source of Spectrum KO-2-333-2
Wiley ID 1404323