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6-[4-(1,3-dicarbethoxyazulen-6-yl)phenyl]azulene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID RCvVMrVW8f
InChI InChI=1S/C38H34O8/c1-5-43-35(39)31-21-32(36(40)44-6-2)28-18-14-25(13-17-27(28)31)23-9-11-24(12-10-23)26-15-19-29-30(20-16-26)34(38(42)46-8-4)22-33(29)37(41)45-7-3/h9-22H,5-8H2,1-4H3
InChIKey NABRCSLDOJJGHF-UHFFFAOYSA-N
Mol Weight 618.7 g/mol
Molecular Formula C38H34O8
Exact Mass 618.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdHoYdKLX83
Name 6-[4-(1,3-dicarbethoxyazulen-6-yl)phenyl]azulene-1,3-dicarboxylic acid diethyl ester
Alternate Name(s) 6-[4-[1,3-bis(ethoxycarbonyl)-6-azulenyl]phenyl]azulene-1,3-dicarboxylic acid diethyl ester diethyl 6-[4-[1,3-bis(ethoxycarbonyl)azulen-6-yl]phenyl]azulene-1,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34O8
InChI InChI=1S/C38H34O8/c1-5-43-35(39)31-21-32(36(40)44-6-2)28-18-14-25(13-17-27(28)31)23-9-11-24(12-10-23)26-15-19-29-30(20-16-26)34(38(42)46-8-4)22-33(29)37(41)45-7-3/h9-22H,5-8H2,1-4H3
InChIKey NABRCSLDOJJGHF-UHFFFAOYSA-N
Molecular Weight 618.682 g/mol
SMILES c1(ccc(cc1)-c1ccc2c(cc(c2cc1)C(=O)OCC)C(=O)OCC)-c1ccc2c(cc(c2cc1)C(=O)OCC)C(=O)OCC
SPLASH splash10-014i-0000009000-099a9961ffa2cbee84b7
Source of Spectrum K-2002-1904-18
Wiley ID 1612974