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2-(tert-Butoxycarbonylaminopropyl)-6-(3-pyren-1-ylpropyl)terephthalic acid dimethyl ester
SpectraBase Compound ID BndgvM2kckP
InChI InChI=1S/C37H39NO6/c1-37(2,3)44-36(41)38-20-8-13-28-22-29(34(39)42-4)21-27(32(28)35(40)43-5)12-6-9-23-14-15-26-17-16-24-10-7-11-25-18-19-30(23)33(26)31(24)25/h7,10-11,14-19,21-22H,6,8-9,12-13,20H2,1-5H3,(H,38,41)
InChIKey APRYNYJCUHZRQT-UHFFFAOYSA-N
Mol Weight 593.7 g/mol
Molecular Formula C37H39NO6
Exact Mass 593.277738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bhtm16gC6eU
Name 2-(tert-Butoxycarbonylaminopropyl)-6-(3-pyren-1-ylpropyl)terephthalic acid dimethyl ester
Alternate Name(s) Dimethyl 2-{3-[(tert-butoxycarbonyl)amino]propyl}-6-[3-(1-pyrenyl)propyl]terephthalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H39NO6
InChI InChI=1S/C37H39NO6/c1-37(2,3)44-36(41)38-20-8-13-28-22-29(34(39)42-4)21-27(32(28)35(40)43-5)12-6-9-23-14-15-26-17-16-24-10-7-11-25-18-19-30(23)33(26)31(24)25/h7,10-11,14-19,21-22H,6,8-9,12-13,20H2,1-5H3,(H,38,41)
InChIKey APRYNYJCUHZRQT-UHFFFAOYSA-N
Molecular Weight 593.720 g/mol
SMILES N(C(OC(C)(C)C)=O)CCCc1c(c(CCCc2c3c4c5c(cc3)cccc5ccc4cc2)cc(C(=O)OC)c1)C(=O)OC
SPLASH splash10-014i-0090030000-4303ea5c813e26d8ce02
Source of Spectrum SO-0-2155-25
Wiley ID 879247