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isothiocyanic acid, propyl ester

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, and 7 MS (GC)

isothiocyanic acid, propyl ester
SpectraBase Compound ID EQBbkdkPiVx
InChI InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey KKASGUHLXWAKEZ-UHFFFAOYSA-N
Mol Weight 101.17 g/mol
Molecular Formula C4H7NS
Exact Mass 101.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DT8ndxntpd
Name PROPANE, 1-ISOTHIOCYANATO-
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 101.029920403 u
Formula C4H7NS
InChI InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey KKASGUHLXWAKEZ-UHFFFAOYSA-N
Molecular Weight 101.167 g/mol
Nominal Mass 101 u
Number of Peaks 43
SMILES CCCN=C=S
SPLASH splash10-002f-9100000000-63199e639b49a4399337
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000873