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L-N-carboxy-3-[(p-methoxybenzyl)thio]alanine, N-tert-butyl ester, compound with dicyclohexylamine(1:1)
SpectraBase Compound ID 9rV4YeUrYBq
InChI InChI=1S/C16H23NO5S.C12H23N/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2
InChIKey BZDPSPDPBHDNAR-UHFFFAOYSA-N
Mol Weight 522.75 g/mol
Molecular Formula C28H46N2O5S
Exact Mass 522.312744 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID H5J1MoJAMul
Name L-N-CARBOXY-3-[(p-METHOXYBENZYL)THIO]ALANINE, N-tert-BUTYL ESTER, COMPOUND WITH DICYCLOHEXYLAMINE (1:1)
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Catalog Number 15463
CAS Registry Number 31025-14-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46N2O5S
InChI InChI=1S/C16H23NO5S.C12H23N/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2
InChIKey BZDPSPDPBHDNAR-UHFFFAOYSA-N
Melting Point 127-130C
Molecular Weight 522.744995
Optical Properties Optical Rotation= (20C) -0.7 +/- 0.5 DEG (c=1, PYRIDINE)
Synonyms ALANINE, N-CARBOXY-3-//P-METHOXY- BENZYL/THIO/-, N-TERT-BUTYL ESTER, CMPD WITH DICYCLOHEXYLAMINE /1 TO 1/, L-,
Technique KBr WAFER