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1-isopropylbut-2-ynyl N-phenylcarbamate
SpectraBase Compound ID 41qz69PjN5g
InChI InChI=1S/C14H17NO2/c1-4-8-13(11(2)3)17-14(16)15-12-9-6-5-7-10-12/h5-7,9-11,13H,1-3H3,(H,15,16)
InChIKey XUZSBVMSWSZLMP-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 449nETV2Tn5
Name 1-isopropylbut-2-ynyl N-phenylcarbamate
Alternate Name(s) 2-Methylhex-4-yn-3-yl N-phenylcarbamate N-phenylcarbamic acid 1-isopropylbut-2-ynyl ester N-phenylcarbamic acid 2-methylhex-4-yn-3-yl ester
CAS Registry Number 115884-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-4-8-13(11(2)3)17-14(16)15-12-9-6-5-7-10-12/h5-7,9-11,13H,1-3H3,(H,15,16)
InChIKey XUZSBVMSWSZLMP-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES N(C(OC(C#CC)C(C)C)=O)c1ccccc1
SPLASH splash10-0007-9120000000-c43757f5d3e0adc071be
Source of Spectrum KC-1987-2271-5
Wiley ID 1232915