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2H,8H-Benzo[1,2-b:3,4-b']dipyran-6-propanol, 5-methoxy-2,2,8,8-tetramethyl-, 3,5-dinitrobenzoate
SpectraBase Compound ID LatxApXEvG3
InChI InChI=1S/C27H28N2O9/c1-26(2)10-8-20-22(35-5)19(23-21(24(20)38-26)9-11-27(3,4)37-23)7-6-12-36-25(30)16-13-17(28(31)32)15-18(14-16)29(33)34/h8-11,13-15H,6-7,12H2,1-5H3
InChIKey GUIURBRJDUCIMS-UHFFFAOYSA-N
Mol Weight 524.53 g/mol
Molecular Formula C27H28N2O9
Exact Mass 524.17948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EoAehWvuNu
Name 2H,8H-Benzo[1,2-b:3,4-b']dipyran-6-propanol, 5-methoxy-2,2,8,8-tetramethyl-, 3,5-dinitrobenzoate
CAS Registry Number 56335-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N2O9
InChI InChI=1S/C27H28N2O9/c1-26(2)10-8-20-22(35-5)19(23-21(24(20)38-26)9-11-27(3,4)37-23)7-6-12-36-25(30)16-13-17(28(31)32)15-18(14-16)29(33)34/h8-11,13-15H,6-7,12H2,1-5H3
InChIKey GUIURBRJDUCIMS-UHFFFAOYSA-N
Molecular Weight 524.526 g/mol
SMILES CC1(C)C=Cc2c3c(C=CC(C)(C)O3)c(c(CCCOC(c3cc(cc(c3)N(=O)=O)N(=O)=O)=O)c2O1)OC
SPLASH splash10-0a4i-3000190000-c27fbda2ca5c3e9519ec
Source of Spectrum SD-1981-0-0
Synonyms 3-(5-Methoxy-2,2,8,8-tetramethyl-2H,8H-pyrano[2,3-f]chromen-6-yl)propyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid 3-(5-methoxy-2,2,8,8-tetramethyl-6-pyrano[2,3-h][1]benzopyranyl)propyl ester 3,5-Dinitrobenzoic acid 3-(5-methoxy-2,2,8,8-tetramethyl-pyrano[2,3-h]chromen-6-yl)propyl ester 3-(5-Methoxy-2,2,8,8-tetramethyl-pyrano[2,3-h]chromen-6-yl)propyl 3,5-dinitrobenzoate
Wiley ID 1402501