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3-Oxa-5-(E)-Nonenoic acid, 7-(dibenzylamino)-8-methyl-, t-butyl ester
SpectraBase Compound ID DmuMkLv6uAv
InChI InChI=1S/C27H37NO3/c1-22(2)25(17-12-18-30-21-26(29)31-27(3,4)5)28(19-23-13-8-6-9-14-23)20-24-15-10-7-11-16-24/h6-17,22,25H,18-21H2,1-5H3/b17-12+
InChIKey AHJQRRZFIBMGTK-SFQUDFHCSA-N
Mol Weight 423.6 g/mol
Molecular Formula C27H37NO3
Exact Mass 423.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6e4gVTpnYeB
Name 3-Oxa-5-(E)-Nonenoic acid, 7-(dibenzylamino)-8-methyl-, t-butyl ester
Alternate Name(s) 2-[(E)-4-(dibenzylamino)-5-methyl-hex-2-enoxy]acetic acid tert-butyl ester 2-[(E)-4-[bis(phenylmethyl)amino]-5-methylhex-2-enoxy]acetic acid tert-butyl ester tert-Butyl 2-[(E)-4-(dibenzylamino)-5-methyl-hex-2-enoxy]acetate tert-Butyl 2-[(E)-4-[bis(phenylmethyl)amino]-5-methyl-hex-2-enoxy]ethanoate
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Formula C27H37NO3
InChI InChI=1S/C27H37NO3/c1-22(2)25(17-12-18-30-21-26(29)31-27(3,4)5)28(19-23-13-8-6-9-14-23)20-24-15-10-7-11-16-24/h6-17,22,25H,18-21H2,1-5H3/b17-12+
InChIKey AHJQRRZFIBMGTK-SFQUDFHCSA-N
Molecular Weight 423.597 g/mol
SMILES c1cc(CN(C(C(C)C)\C=C\COCC(=O)OC(C)(C)C)Cc2ccccc2)ccc1
SPLASH splash10-007o-8219000000-e9bf0f5fb0917c970f84
Wiley ID 1490165