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4-(n-Butoxycarbonyl)phenyl isocyanate

View entire compound with spectra: 2 FTIR, and 1 Raman

4-(n-Butoxycarbonyl)phenyl isocyanate
SpectraBase Compound ID 6dx6GNeusym
InChI InChI=1S/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3
InChIKey PVCGQSQNUXNTNA-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LcgQOZGhfk2
Name 4-(n-Butoxycarbonyl)phenyl isocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L10606
Lot Number 10145367
CAS Registry Number 102561-47-7
Color Properties Colorless
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3
InChIKey PVCGQSQNUXNTNA-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 219.240 g/mol
Purity 99%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique Neat