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(R,R,S)-(+)-1,3-dimethyl-2-(1-phenylethylamino)perhydro-1,3,2-benzodiazaphospholidene 2-oxide
SpectraBase Compound ID FNsuzBATBX5
InChI InChI=1S/C16H26N3OP/c1-13(14-9-5-4-6-10-14)17-21(20)18(2)15-11-7-8-12-16(15)19(21)3/h4-6,9-10,13,15-16H,7-8,11-12H2,1-3H3,(H,17,20)/t13-,15+,16+/m0/s1
InChIKey NEVIAYVVEZMXAO-NUEKZKHPSA-N
Mol Weight 307.38 g/mol
Molecular Formula C16H26N3OP
Exact Mass 307.181349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXEqwxewxkq
Name (R,R,S)-(+)-1,3-dimethyl-2-(1-phenylethylamino)perhydro-1,3,2-benzodiazaphospholidene 2-oxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.181349466 u
Formula C16H26N3OP
InChI InChI=1S/C16H26N3OP/c1-13(14-9-5-4-6-10-14)17-21(20)18(2)15-11-7-8-12-16(15)19(21)3/h4-6,9-10,13,15-16H,7-8,11-12H2,1-3H3,(H,17,20)/t13-,15+,16+/m0/s1
InChIKey NEVIAYVVEZMXAO-NUEKZKHPSA-N
Molecular Weight 307.378 g/mol
SMILES [C@@]12(N(P(N([C@@]1(CCCC2)[H])C)(N[C@](C1=CC=CC=C1)(C)[H])=O)C)[H]