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N-acetyl-3-[(3-hydroxypropyl)thio]alanine, compound with dicyclohexylamine (1:1)
SpectraBase Compound ID GZ9dhTHNVt1
InChI InChI=1S/C12H23N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(11)9-7(8(12)13)5-14-4-2-3-10/h11-13H,1-10H2;7,10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKey IAJLPGZWRSPJLM-UHFFFAOYSA-N
Mol Weight 402.59 g/mol
Molecular Formula C20H38N2O4S
Exact Mass 402.255229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoitKVWy5to
Name N-ACETYL-3-[(3-HYDROXYPROPYL)THIO]ALANINE, COMPOUND WITH DICYCLOHEXYLAMINE (1:1)
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO4S C12H23N
InChI InChI=1S/C12H23N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(11)9-7(8(12)13)5-14-4-2-3-10/h11-13H,1-10H2;7,10H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKey IAJLPGZWRSPJLM-UHFFFAOYSA-N
Molecular Weight 402.60
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ALANINE, N-ACETYL-3-//3-HYDROXYPROPYL/THIO/-, COMPOUND WITH DICYCLOHEXYLAMINE /1 TO 1/