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2-n-dodecylthioorotic acid

View entire compound with spectra: 1 MS (GC)

2-n-dodecylthioorotic acid
SpectraBase Compound ID 724E75aPWJ9
InChI InChI=1S/C17H28N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-23-17-18-14(16(21)22)13-15(20)19-17/h13H,2-12H2,1H3,(H,21,22)(H,18,19,20)
InChIKey ZRHSCBYVOLJGEJ-UHFFFAOYSA-N
Mol Weight 340.48 g/mol
Molecular Formula C17H28N2O3S
Exact Mass 340.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID q1JICDmL50
Name 2-n-dodecylthioorotic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28N2O3S
InChI InChI=1S/C17H28N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-23-17-18-14(16(21)22)13-15(20)19-17/h13H,2-12H2,1H3,(H,21,22)(H,18,19,20)
InChIKey ZRHSCBYVOLJGEJ-UHFFFAOYSA-N
Molecular Weight 340.482 g/mol
SMILES N1C(=NC(C(=O)O)=CC1=O)SCCCCCCCCCCCC
SPLASH splash10-00di-1921000000-bb20ba9dd1a9e193bd6b
Source of Spectrum O-29-50-0
Wiley ID 1335019