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Alanine, N-isopropyl-3-(isopropylthio)-, isopropyl ester, L-
SpectraBase Compound ID E90pO0g7m6l
InChI InChI=1S/C12H25NO2S/c1-8(2)13-11(7-16-10(5)6)12(14)15-9(3)4/h8-11,13H,7H2,1-6H3
InChIKey IXANQQMFKWNTBF-UHFFFAOYSA-N
Mol Weight 247.4 g/mol
Molecular Formula C12H25NO2S
Exact Mass 247.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXCIenC2I2x
Name Alanine, N-isopropyl-3-(isopropylthio)-, isopropyl ester, L-
CAS Registry Number 31552-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H25NO2S
InChI InChI=1S/C12H25NO2S/c1-8(2)13-11(7-16-10(5)6)12(14)15-9(3)4/h8-11,13H,7H2,1-6H3
InChIKey IXANQQMFKWNTBF-UHFFFAOYSA-N
Molecular Weight 247.397 g/mol
SMILES N(C(C(OC(C)C)=O)CSC(C)C)C(C)C
SPLASH splash10-0cdi-0900000000-93c357a115e0b7bfbf48
Source of Spectrum EP-7312-0-0
Synonyms Isopropyl 2-(isopropylamino)-3-(isopropylsulfanyl)propanoate 2-(isopropylamino)-3-(isopropylthio)propionic acid isopropyl ester 2-(propan-2-ylamino)-3-(propan-2-ylthio)propanoic acid propan-2-yl ester Propan-2-yl 2-(propan-2-ylamino)-3-propan-2-ylsulfanyl-propanoate Propan-2-yl 2-(propan-2-ylamino)-3-propan-2-ylsulfanylpropanoate
Wiley ID 1249864