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(3S,4'S)-3-[2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-2,3,4,7-tetrahydro-[1,2]oxazepin-5-yl]acrylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(3S,4'S)-3-[2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-2,3,4,7-tetrahydro-[1,2]oxazepin-5-yl]acrylic acid methyl ester
SpectraBase Compound ID 8v5n4q3sswA
InChI InChI=1S/C23H31NO7/c1-22(2)29-16-19(31-22)21-23(27-4,28-5)18(11-12-20(25)26-3)13-14-30-24(21)15-17-9-7-6-8-10-17/h6-13,19,21H,14-16H2,1-5H3/b12-11+/t19-,21+/m1/s1
InChIKey LBETWWYHJQTRHI-PIEXOPACSA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H31NO7
Exact Mass 433.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DS1OVhBjb8c
Name (3S,4'S)-3-[2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-2,3,4,7-tetrahydro-[1,2]oxazepin-5-yl]acrylic acid methyl ester
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Formula C23H31NO7
InChI InChI=1S/C23H31NO7/c1-22(2)29-16-19(31-22)21-23(27-4,28-5)18(11-12-20(25)26-3)13-14-30-24(21)15-17-9-7-6-8-10-17/h6-13,19,21H,14-16H2,1-5H3/b12-11+/t19-,21+/m1/s1
InChIKey LBETWWYHJQTRHI-PIEXOPACSA-N
Molecular Weight 433.501 g/mol
SMILES [C@@]1(N(OCC=C(C1(OC)OC)\C=C\C(=O)OC)Cc1ccccc1)([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-000i-4900000000-77d36027a5a27ab17126
Source of Spectrum F4-42-313-9
Wiley ID 1673541