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NIRANIN;(S-METHYLTHIOCARBONIC-ACID-N-METHYL-N-PHENETHYLAMIDE)
SpectraBase Compound ID BYF5AcWFi3g
InChI InChI=1S/C11H15NOS/c1-12(11(13)14-2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey SFUIBAHKLMJTHH-UHFFFAOYSA-N
Mol Weight 209.31 g/mol
Molecular Formula C11H15NOS
Exact Mass 209.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HR6p9DiAnWU
Name Niranin
CAS Registry Number 92886-90-3
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 209.087435280 u
Formula C11H15NOS
InChI InChI=1S/C11H15NOS/c1-12(11(13)14-2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey SFUIBAHKLMJTHH-UHFFFAOYSA-N
Molecular Weight 209.307 g/mol
Number of Peaks 50
RI1 1713
SMILES C(SC)(=O)N(CCc1ccccc1)C
SPLASH splash10-016u-9500000000-00c3192b3865dfb601a4
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms carbamothioic acid, methyl(2-phenylethyl)-, S-methyl ester
Wiley ID LM_FFNSC3_2584