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(R)-6-bromonaphthalen-2-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanoate
SpectraBase Compound ID HkG6A6PMqXA
InChI InChI=1S/C24H18BrNO5/c1-15(27)24(13-26,18-4-7-21-22(12-18)30-14-29-21)9-8-23(28)31-20-6-3-16-10-19(25)5-2-17(16)11-20/h2-7,10-12H,8-9,14H2,1H3/t24-/m1/s1
InChIKey QJXXDPRFFVQNPO-XMMPIXPASA-N
Mol Weight 480.31 g/mol
Molecular Formula C24H18BrNO5
Exact Mass 479.036836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuGkEjPmIT0
Name (R)-6-bromonaphthalen-2-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanoate
Alternate Name(s) 6-Bromonaphthalen-2-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18BrNO5
InChI InChI=1S/C24H18BrNO5/c1-15(27)24(13-26,18-4-7-21-22(12-18)30-14-29-21)9-8-23(28)31-20-6-3-16-10-19(25)5-2-17(16)11-20/h2-7,10-12H,8-9,14H2,1H3/t24-/m1/s1
InChIKey QJXXDPRFFVQNPO-XMMPIXPASA-N
Literature Reference DOI 10.1002/asia.201300595
Molecular Weight 480.314 g/mol
SMILES c1(ccc2c(c1)ccc(c2)Br)OC(CC[C@@](C(=O)C)(c1ccc2c(c1)OCO2)C#N)=O
SPLASH splash10-00di-2940000000-9cc962b1594518708b3f
Source of Spectrum CAJ-8-1966/SM13-3b
Wiley ID 1772061