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1-((3R,4R)-3,4-Bis-diphenylphosphanyl-pyrrolidin-1-yl)-11-mercapto-undecan-1-one
SpectraBase Compound ID HbbKr5CwIs1
InChI InChI=1S/C39H47NOP2S/c41-39(29-19-5-3-1-2-4-6-20-30-44)40-31-37(42(33-21-11-7-12-22-33)34-23-13-8-14-24-34)38(32-40)43(35-25-15-9-16-26-35)36-27-17-10-18-28-36/h7-18,21-28,37-38,44H,1-6,19-20,29-32H2/t37-,38-/m1/s1
InChIKey NUPLEZSGYFLRGX-XPSQVAKYSA-N
Mol Weight 639.8 g/mol
Molecular Formula C39H47NOP2S
Exact Mass 639.28536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjgsAvjkzic
Name 1-((3R,4R)-3,4-Bis-diphenylphosphanyl-pyrrolidin-1-yl)-11-mercapto-undecan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H47NOP2S
InChI InChI=1S/C39H47NOP2S/c41-39(29-19-5-3-1-2-4-6-20-30-44)40-31-37(42(33-21-11-7-12-22-33)34-23-13-8-14-24-34)38(32-40)43(35-25-15-9-16-26-35)36-27-17-10-18-28-36/h7-18,21-28,37-38,44H,1-6,19-20,29-32H2/t37-,38-/m1/s1
InChIKey NUPLEZSGYFLRGX-XPSQVAKYSA-N
Molecular Weight 639.819 g/mol
SMILES SCCCCCCCCCCC(N1C[C@]([C@](P(c2ccccc2)c2ccccc2)(C1)[H])(P(c1ccccc1)c1ccccc1)[H])=O
SPLASH splash10-02ti-9560012000-89ea4e27470b1314f1ca
Source of Spectrum C-127-8730-11
Synonyms N-(1'-Oxo-11'-mercaptoundecyl)-4,5-bis[diphenylphospfino)-pyrrolidine 1-[(3R,4R)-3,4-bis(diphenylphosphino)-1-pyrrolidinyl]-11-mercapto-1-undecanone 1-[(3R,4R)-3,4-bis(diphenylphosphanyl)pyrrolidin-1-yl]-11-sulfanylundecan-1-one 1-[(3R,4R)-3,4-bis(diphenylphosphanyl)pyrrolidin-1-yl]-11-sulfanyl-undecan-1-one
Wiley ID 1701477