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3-[(5-tert-butyl-4-thiadiazolyl)thio]propanoic acid methyl ester
SpectraBase Compound ID F17pGKcO5I2
InChI InChI=1S/C10H16N2O2S2/c1-10(2,3)8-9(11-12-16-8)15-6-5-7(13)14-4/h5-6H2,1-4H3
InChIKey DEZQUBHSOKKNTC-UHFFFAOYSA-N
Mol Weight 260.37 g/mol
Molecular Formula C10H16N2O2S2
Exact Mass 260.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fm8b5TSn
Name 3-[(5-tert-butyl-4-thiadiazolyl)thio]propanoic acid methyl ester
Alternate Name(s) 3-[(5-tert-butylthiadiazol-4-yl)thio]propionic acid methyl ester Methyl 3-(5-tert-butylthiadiazol-4-yl)sulfanylpropanoate Methyl 3-[(5-tert-butyl-1,2,3-thiadiazol-4-yl)sulfanyl]propanoate
CAS Registry Number 114393-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16N2O2S2
InChI InChI=1S/C10H16N2O2S2/c1-10(2,3)8-9(11-12-16-8)15-6-5-7(13)14-4/h5-6H2,1-4H3
InChIKey DEZQUBHSOKKNTC-UHFFFAOYSA-N
Molecular Weight 260.370 g/mol
SMILES c1(c(nns1)SCCC(=O)OC)C(C)(C)C
SPLASH splash10-0a4i-9530000000-ba93e56ed72890f49011
Source of Spectrum Y-25-1881-2
Wiley ID 1263169