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Propanedioic acid, 2-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]-, diethyl ester
SpectraBase Compound ID 62lOUZ9BJ56
InChI InChI=1S/C38H51NO8/c1-9-37(5,6)25-19-20-30(29(23-25)38(7,8)10-2)46-22-16-15-21-39-34(41)28-24-31(26-17-13-14-18-27(26)32(28)40)47-33(35(42)44-11-3)36(43)45-12-4/h13-14,17-20,23-24,33,40H,9-12,15-16,21-22H2,1-8H3,(H,39,41)
InChIKey GKEAGVDCUAVZAQ-UHFFFAOYSA-N
Mol Weight 649.8 g/mol
Molecular Formula C38H51NO8
Exact Mass 649.361468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaIzlUhZ8JU
Name Propanedioic acid, 2-[[3-[[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]oxy]-, diethyl ester
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Formula C38H51NO8
InChI InChI=1S/C38H51NO8/c1-9-37(5,6)25-19-20-30(29(23-25)38(7,8)10-2)46-22-16-15-21-39-34(41)28-24-31(26-17-13-14-18-27(26)32(28)40)47-33(35(42)44-11-3)36(43)45-12-4/h13-14,17-20,23-24,33,40H,9-12,15-16,21-22H2,1-8H3,(H,39,41)
InChIKey GKEAGVDCUAVZAQ-UHFFFAOYSA-N
Molecular Weight 649.825 g/mol
SMILES N(C(c1c(c2ccccc2c(c1)OC(C(OCC)=O)C(=O)OCC)O)=O)CCCCOc1ccc(cc1C(C)(C)CC)C(C)(C)CC
SPLASH splash10-00di-9411201000-0a5fedf62b1ce7761ca3
Source of Spectrum JX-2015-4-1386
Synonyms Diethyl 2-((3-((4-(2,4-di-tert-pentylphenoxy)butyl)carbamoyl)-4-hydroxynaphthalen-1-yl)oxy)malonate Diethyl {[3-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}carbamoyl)-4-hydroxynaphthalen-1-yl]oxy}propanedioate 2-[[3-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]propanedioic acid diethyl ester Diethyl 2-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxypropanedioate Diethyl 2-[[3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamoyl]-4-hydroxy-1-naphthyl]oxy]propanedioate Diethyl 2-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxypropanedioate
Wiley ID 1726774