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Tri(p-t-butylphenyl)methyl isocyanate
SpectraBase Compound ID 3go902udRCX
InChI InChI=1S/C32H39NO/c1-29(2,3)23-10-16-26(17-11-23)32(33-22-34,27-18-12-24(13-19-27)30(4,5)6)28-20-14-25(15-21-28)31(7,8)9/h10-21H,1-9H3
InChIKey MLFOQVVLSQMHPD-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C32H39NO
Exact Mass 453.303165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoRXPgB4oGT
Name Tri(p-t-butylphenyl)methyl isocyanate
Alternate Name(s) 1-[bis(4-tert-butylphenyl)(isocyanato)methyl]-4-tert-butylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39NO
InChI InChI=1S/C32H39NO/c1-29(2,3)23-10-16-26(17-11-23)32(33-22-34,27-18-12-24(13-19-27)30(4,5)6)28-20-14-25(15-21-28)31(7,8)9/h10-21H,1-9H3
InChIKey MLFOQVVLSQMHPD-UHFFFAOYSA-N
Molecular Weight 453.670 g/mol
SMILES C(c1ccc(cc1)C(C)(C)C)(c1ccc(cc1)C(C)(C)C)(c1ccc(cc1)C(C)(C)C)N=C=O
SPLASH splash10-0006-9000100000-a4c27773f482b7a8b876
Source of Spectrum F-51-7895-50
Wiley ID 792682