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isothiocyanic acid, dodecyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 2 MS (GC)

isothiocyanic acid, dodecyl ester
SpectraBase Compound ID 1zAq8L6OiZB
InChI InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
InChIKey LPVQVNLMFKGGCH-UHFFFAOYSA-N
Mol Weight 227.41 g/mol
Molecular Formula C13H25NS
Exact Mass 227.170771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PtPm7Aknts
Name 1-Isothiocyanatododecane
Alternate Name(s) 1-Dodecyl isothiocyanate Dodecyl isothiocyanate N-Dodecyl isothiocyanate CCRIS 7537
CAS Registry Number 1072-32-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25NS
InChI InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
InChIKey LPVQVNLMFKGGCH-UHFFFAOYSA-N
Molecular Weight 227.410 g/mol
SMILES CCCCCCCCCCCCN=C=S
SPLASH splash10-0006-9200000000-442bae47148761ad0b10
Source of Spectrum NP-18-2322-0
Wiley ID 1105113