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isothiocyanic acid, p-tert-butylphenyl ester
SpectraBase Compound ID 5DMCUqenfWS
InChI InChI=1S/C11H13NS/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
InChIKey OCGNNCBNRBTUCG-UHFFFAOYSA-N
Mol Weight 191.29 g/mol
Molecular Formula C11H13NS
Exact Mass 191.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ep2LIehtX5
Name 1-tert-butyl-4-isothiocyanato-benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NS
InChI InChI=1S/C11H13NS/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
InChIKey OCGNNCBNRBTUCG-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 191.292 g/mol
SMILES c1(N=C=S)ccc(cc1)C(C)(C)C
SPLASH splash10-004i-0900000000-9b9b592a3a0985c5c485
Source of Spectrum CN109608295A
Wiley ID 1872694