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(2S)-3-(3,4-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid

View entire compound with spectra: 1 MS (GC)

(2S)-3-(3,4-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid
SpectraBase Compound ID KGD8e7RRDHW
InChI InChI=1S/C26H25NO6/c1-31-23-12-11-16(14-24(23)32-2)13-22(25(28)29)27-26(30)33-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,14,21-22H,13,15H2,1-2H3,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKey XJRGWWYKCGWQHH-QFIPXVFZSA-N
Mol Weight 447.49 g/mol
Molecular Formula C26H25NO6
Exact Mass 447.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Pq4gTLmkJX
Name (2S)-3-(3,4-dimethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid
Alternate Name(s) (2S)-3-(3,4-dimethoxyphenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid (2S)-3-(3,4-dimethoxyphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
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Formula C26H25NO6
InChI InChI=1S/C26H25NO6/c1-31-23-12-11-16(14-24(23)32-2)13-22(25(28)29)27-26(30)33-15-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,14,21-22H,13,15H2,1-2H3,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKey XJRGWWYKCGWQHH-QFIPXVFZSA-N
Molecular Weight 447.487 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)[C@](C(=O)O)(Cc1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0059-0960100000-129ae485b515001d1abb
Source of Spectrum J-61-8947-12
Wiley ID 1386943