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4-tert-butylphenylisocyanide
SpectraBase Compound ID JVPBQQ0NZqg
InChI InChI=1S/C11H13N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-3H3
InChIKey GSCBYFBCMZYTRO-UHFFFAOYSA-N
Mol Weight 159.23 g/mol
Molecular Formula C11H13N
Exact Mass 159.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z4OqTZkCe
Name 4-tert-butylphenylisocyanide
Appearance Colorless liquid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 159.104799423 u
Formula C11H13N
InChI InChI=1S/C11H13N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-3H3
InChIKey GSCBYFBCMZYTRO-UHFFFAOYSA-N
Instrument Name Thermo Electron MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300764
Molecular Weight 159.232 g/mol
Quality 467
SMILES C=1(C(C)(C)C)C=CC(=CC1)[N+]#[C-]
SPLASH splash10-00kf-1900000000-117a980940a518a849ea
Source of Spectrum QE-29-SM27-(p-tBu)C6H4-NC (DOI: 10.1002/chem.202300764)
Wiley ID 1910252