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2-Methoxy-6-octylazulene-1,3-dicarboxylic acid
SpectraBase Compound ID Ly2nRhl6KdM
InChI InChI=1S/C21H26O5/c1-3-4-5-6-7-8-9-14-10-12-15-16(13-11-14)18(21(24)25)19(26-2)17(15)20(22)23/h10-13H,3-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey UWSVOTPQNDCOIG-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6h4E2wwjfM
Name 2-Methoxy-6-octylazulene-1,3-dicarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-3-4-5-6-7-8-9-14-10-12-15-16(13-11-14)18(21(24)25)19(26-2)17(15)20(22)23/h10-13H,3-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKey UWSVOTPQNDCOIG-UHFFFAOYSA-N
Molecular Weight 358.434 g/mol
SMILES OC(c1c(c(C(=O)O)c2ccc(ccc12)CCCCCCCC)OC)=O
SPLASH splash10-00di-0490000000-a6c42722a10d81a0c69f
Source of Spectrum F-70-3947-12
Wiley ID 1596882