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isocyanatoacetic acid, butyl ester
SpectraBase Compound ID L2vGxrhA8gG
InChI InChI=1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3
InChIKey RMZSOGJUEUFCBK-UHFFFAOYSA-N
Mol Weight 157.17 g/mol
Molecular Formula C7H11NO3
Exact Mass 157.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XsH18LqH5o
Name Butyl isocyanatoacetate
CAS Registry Number 17046-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO3
InChI InChI=1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3
InChIKey RMZSOGJUEUFCBK-UHFFFAOYSA-N
Molecular Weight 157.169 g/mol
SMILES C(N=C=O)C(OCCCC)=O
SPLASH splash10-0a6r-9000000000-5138b8c888a0ba14d5bd
Source of Spectrum NP-1-8229-0
Synonyms Acetic acid, isocyanato-, butyl ester n-Butyl isocyanatoacetate Butyl 2-isocyanatoacetate Butyl 2-isocyanatoethanoate
Wiley ID 1099649