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1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1,1'-(1,8-naphthalenediyl)bis-, tetrakis(1,1-dimethylethyl) ester
SpectraBase Compound ID GQQQH4C5ymK
InChI InChI=1S/C34H42N6O8/c1-31(2,3)45-27(41)23-25(29(43)47-33(7,8)9)39(37-35-23)20-17-13-15-19-16-14-18-21(22(19)20)40-26(30(44)48-34(10,11)12)24(36-38-40)28(42)46-32(4,5)6/h13-18H,1-12H3
InChIKey WBOCSHILYZOZOG-UHFFFAOYSA-N
Mol Weight 662.7 g/mol
Molecular Formula C34H42N6O8
Exact Mass 662.306412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fuowhd7rFFw
Name 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1,1'-(1,8-naphthalenediyl)bis-, tetrakis(1,1-dimethylethyl) ester
Alternate Name(s) di(tert-butyl) 1-{8-[4,5-bis(tert-butoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-naphthyl}-1H-1,2,3-triazole-4,5-dicarboxylate Tetra-t-butyl 1,1-(1,8-naphthylene)di-1H-1,2,3-triazole-4,5-dicarboxylate
CAS Registry Number 91165-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H42N6O8
InChI InChI=1S/C34H42N6O8/c1-31(2,3)45-27(41)23-25(29(43)47-33(7,8)9)39(37-35-23)20-17-13-15-19-16-14-18-21(22(19)20)40-26(30(44)48-34(10,11)12)24(36-38-40)28(42)46-32(4,5)6/h13-18H,1-12H3
InChIKey WBOCSHILYZOZOG-UHFFFAOYSA-N
Molecular Weight 662.744 g/mol
SMILES c1([n](nnc1C(OC(C)(C)C)=O)-c1c2c(-[n]3c(c(C(OC(C)(C)C)=O)nn3)C(OC(C)(C)C)=O)cccc2ccc1)C(OC(C)(C)C)=O
SPLASH splash10-052f-9001100000-45179ee22122c2bd107f
Source of Spectrum AJ-60-2932-1
Wiley ID 1413641