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Dimethyl 2,2'-(5-hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzoate
SpectraBase Compound ID FNVGTUIa37K
InChI InChI=1S/C28H27NO6S/c1-4-5-6-11-16-29-25(30)21-22(26(29)31)24(18-13-8-10-15-20(18)28(33)35-3)36-23(21)17-12-7-9-14-19(17)27(32)34-2/h7-10,12-15H,4-6,11,16H2,1-3H3
InChIKey KALWMPPHCRYWEX-UHFFFAOYSA-N
Mol Weight 505.59 g/mol
Molecular Formula C28H27NO6S
Exact Mass 505.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMWv9aLrtEI
Name Dimethyl 2,2'-(5-hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27NO6S
InChI InChI=1S/C28H27NO6S/c1-4-5-6-11-16-29-25(30)21-22(26(29)31)24(18-13-8-10-15-20(18)28(33)35-3)36-23(21)17-12-7-9-14-19(17)27(32)34-2/h7-10,12-15H,4-6,11,16H2,1-3H3
InChIKey KALWMPPHCRYWEX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400524
Molecular Weight 505.585 g/mol
SMILES C1(=O)c2c(-c3ccccc3C(OC)=O)sc(c2C(=O)N1CCCCCC)-c1ccccc1C(OC)=O
SPLASH splash10-0a4i-9030260000-fa6a53613df2111bfb5a
Source of Spectrum ASC-356-3761/SM10-3l
Wiley ID 1769759