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[S2P(PH-CH2CH2NH)-(P-C6H6OME)-H3N(+)CH2CH2PH]

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[S2P(PH-CH2CH2NH)-(P-C6H6OME)-H3N(+)CH2CH2PH]
SpectraBase Compound ID 5A5lzrO0ez3
InChI InChI=1S/C15H18NOPS2.C8H11N/c1-17-14-7-9-15(10-8-14)18(19,20)16-12-11-13-5-3-2-4-6-13;9-7-6-8-4-2-1-3-5-8/h2-10H,11-12H2,1H3,(H2,16,19,20);1-5H,6-7,9H2
InChIKey QCFWDBUSEQPRFJ-UHFFFAOYSA-N
Mol Weight 444.59 g/mol
Molecular Formula C23H29N2OPS2
Exact Mass 444.145893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JVyQuvAncLC
Name [S2P(PH-CH2CH2NH)-(P-C6H6OME)-H3N(+)CH2CH2PH]
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29N2OPS2
InChI InChI=1S/C15H18NOPS2.C8H11N/c1-17-14-7-9-15(10-8-14)18(19,20)16-12-11-13-5-3-2-4-6-13;9-7-6-8-4-2-1-3-5-8/h2-10H,11-12H2,1H3,(H2,16,19,20);1-5H,6-7,9H2
InChIKey QCFWDBUSEQPRFJ-UHFFFAOYSA-N
Literature Reference Author A.SAADAT,A.BANAEE,P.MCARDLE,K.ZARE,K.GHOLIVAND,A.A.E.VALMOOZ I
Literature Reference Citation J.CHEM.SCI.,126,1125(2014)
Literature Reference DOI 10.1007/s12039-014-0675-z
Molecular Weight 444.590 g/mol
Solvent DMSO-D6
Source File Reference UWBT11292