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Dimethyl 3,3'-(5-hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzoate
SpectraBase Compound ID JpaAJX94fgY
InChI InChI=1S/C28H27NO6S/c1-4-5-6-7-14-29-25(30)21-22(26(29)31)24(18-11-9-13-20(16-18)28(33)35-3)36-23(21)17-10-8-12-19(15-17)27(32)34-2/h8-13,15-16H,4-7,14H2,1-3H3
InChIKey VUBUKHWCPWICBS-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 12mDERcO1GM
Name Dimethyl 3,3'-(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/c1-4-5-6-7-14-29-25(30)21-22(26(29)31)24(18-11-9-13-20(16-18)28(33)35-3)36-23(21)17-10-8-12-19(15-17)27(32)34-2/h8-13,15-16H,4-7,14H2,1-3H3
InChIKey VUBUKHWCPWICBS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400524
Molecular Weight 505.585 g/mol
SMILES C1(=O)c2c(-c3cccc(c3)C(OC)=O)sc(c2C(=O)N1CCCCCC)-c1cccc(c1)C(=O)OC
SPLASH splash10-052b-8900010000-516e9073bca45f2f2986
Source of Spectrum ASC-356-3761/SM10-3k
Wiley ID 1769758