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SINHARIN;(E)-3-(METHYLTHIO)-PROPENOIC-ACID-PHENETHYLAMIDE
SpectraBase Compound ID KrJhzuwE6I0
InChI InChI=1S/C12H15NOS/c1-15-10-8-12(14)13-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,13,14)/b10-8+
InChIKey INUPOERVCMJSKS-CSKARUKUSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AT8v95nhG0R
Name Sinharine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.087435280 u
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c1-15-10-8-12(14)13-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,13,14)/b10-8+
InChIKey INUPOERVCMJSKS-CSKARUKUSA-N
Molecular Weight 221.318 g/mol
SMILES C(=O)(\C=C\SC)NCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900495