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Acetic acid (E)-5-(1,3-dioxo-1,3-dihydroisoindol-2-yloxy)-1-phenyltetradec-2-enyl ester
SpectraBase Compound ID 5zbQTPAwBYE
InChI InChI=1S/C30H37NO5/c1-3-4-5-6-7-8-12-18-25(36-31-29(33)26-20-13-14-21-27(26)30(31)34)19-15-22-28(35-23(2)32)24-16-10-9-11-17-24/h9-11,13-17,20-22,25,28H,3-8,12,18-19H2,1-2H3/b22-15+
InChIKey LJKGZXTVDBEMRE-PXLXIMEGSA-N
Mol Weight 491.6 g/mol
Molecular Formula C30H37NO5
Exact Mass 491.267173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGCnoOft42M
Name Acetic acid (E)-5-(1,3-dioxo-1,3-dihydroisoindol-2-yloxy)-1-phenyltetradec-2-enyl ester
Alternate Name(s) (E)-5-((1,3-dioxoisoindolin-2-yl)oxy)-1-phenyltetradec-2-en-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H37NO5
InChI InChI=1S/C30H37NO5/c1-3-4-5-6-7-8-12-18-25(36-31-29(33)26-20-13-14-21-27(26)30(31)34)19-15-22-28(35-23(2)32)24-16-10-9-11-17-24/h9-11,13-17,20-22,25,28H,3-8,12,18-19H2,1-2H3/b22-15+
InChIKey LJKGZXTVDBEMRE-PXLXIMEGSA-N
Literature Reference DOI 10.1021/jo401627p
Molecular Weight 491.628 g/mol
SMILES c1cc2C(N(C(=O)c2cc1)OC(CCCCCCCCC)C\C=C\C(c1ccccc1)OC(C)=O)=O
SPLASH splash10-052f-3900000000-8fe1509ff20bcf754563
Source of Spectrum J-78-10278-arb4
Wiley ID 1745832