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5,7-Dodecadiyne-1,12-diol, bis(phenylcarbamate)
SpectraBase Compound ID 3CCSJ97v3Eh
InChI InChI=1S/C26H28N2O4/c29-25(27-23-17-11-9-12-18-23)31-21-15-7-5-3-1-2-4-6-8-16-22-32-26(30)28-24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,(H,27,29)(H,28,30)
InChIKey WSRNNJMTTKLJIR-UHFFFAOYSA-N
Mol Weight 432.52 g/mol
Molecular Formula C26H28N2O4
Exact Mass 432.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeL3Z6vb4Uo
Name 5,7-Dodecadiyne-1,12-diol, bis(phenylcarbamate)
Alternate Name(s) Dodeca-5,7-diyne-1,12-diyl bis(phenylcarbamate) N-phenylcarbamic acid 12-[anilino(oxo)methoxy]dodeca-5,7-diynyl ester 12-(phenylcarbamoyloxy)dodeca-5,7-diynyl N-phenylcarbamate
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Formula C26H28N2O4
InChI InChI=1S/C26H28N2O4/c29-25(27-23-17-11-9-12-18-23)31-21-15-7-5-3-1-2-4-6-8-16-22-32-26(30)28-24-19-13-10-14-20-24/h9-14,17-20H,5-8,15-16,21-22H2,(H,27,29)(H,28,30)
InChIKey WSRNNJMTTKLJIR-UHFFFAOYSA-N
Molecular Weight 432.520 g/mol
SMILES N(C(OCCCCC#CC#CCCCCOC(=O)Nc1ccccc1)=O)c1ccccc1
SPLASH splash10-00kf-9700000000-a4334a753cedbb68d094
Source of Spectrum JX-2015-4-404
Wiley ID 1725844