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3-Oxa-5-(E)-octenoic acid, (7S)-(dibenzylamino)-, t-butyl ester
SpectraBase Compound ID ElrVXhzAroB
InChI InChI=1S/C25H33NO3/c1-21(12-11-17-28-20-24(27)29-25(2,3)4)26(18-22-13-7-5-8-14-22)19-23-15-9-6-10-16-23/h5-16,21H,17-20H2,1-4H3/b12-11+
InChIKey WIHGZUVGGJZIHB-VAWYXSNFSA-N
Mol Weight 395.5 g/mol
Molecular Formula C25H33NO3
Exact Mass 395.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTcnt1R744z
Name 3-Oxa-5-(E)-octenoic acid, (7S)-(dibenzylamino)-, t-butyl ester
Alternate Name(s) 2-[(E)-4-(dibenzylamino)pent-2-enoxy]acetic acid tert-butyl ester 2-[(E)-4-[bis(phenylmethyl)amino]pent-2-enoxy]acetic acid tert-butyl ester tert-Butyl 2-[(E)-4-(dibenzylamino)pent-2-enoxy]acetate tert-Butyl 2-[(E)-4-[bis(phenylmethyl)amino]pent-2-enoxy]ethanoate
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Formula C25H33NO3
InChI InChI=1S/C25H33NO3/c1-21(12-11-17-28-20-24(27)29-25(2,3)4)26(18-22-13-7-5-8-14-22)19-23-15-9-6-10-16-23/h5-16,21H,17-20H2,1-4H3/b12-11+
InChIKey WIHGZUVGGJZIHB-VAWYXSNFSA-N
Molecular Weight 395.543 g/mol
SMILES c1cc(CN(C(C)\C=C\COCC(=O)OC(C)(C)C)Cc2ccccc2)ccc1
SPLASH splash10-000x-9315000000-294085e7f869033bcca7
Wiley ID 1490249