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Allophanic acid, phenyl ester

View entire compound with spectra: 2 MS (GC)

Allophanic acid, phenyl ester
SpectraBase Compound ID IFrncAfnKG
InChI InChI=1S/C8H8N2O3/c9-7(11)10-8(12)13-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChIKey BOOLNDQTRIDYQF-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C8H8N2O3
Exact Mass 180.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnxSxu1XPMI
Name Allophanic acid, phenyl ester
Alternate Name(s) N-carbamoylcarbamic acid phenyl ester Phenyl aminocarbonylcarbamate phenyl N-aminocarbonylcarbamate phenyl N-carbamoylcarbamate
CAS Registry Number 49615-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O3
InChI InChI=1S/C8H8N2O3/c9-7(11)10-8(12)13-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChIKey BOOLNDQTRIDYQF-UHFFFAOYSA-N
Molecular Weight 180.163 g/mol
SMILES NC(=O)NC(=O)Oc1ccccc1
SPLASH splash10-0006-9000000000-cffa555949ce73db48cf
Wiley ID 1491097