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(3R,4'S)-2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-5-vinyl-2,3,4,7-tetrahydro-[1,2]oxazepine
SpectraBase Compound ID 9Bqv8u0SgZo
InChI InChI=1S/C21H29NO5/c1-6-17-12-13-26-22(14-16-10-8-7-9-11-16)19(21(17,23-4)24-5)18-15-25-20(2,3)27-18/h6-12,18-19H,1,13-15H2,2-5H3/t18-,19-/m1/s1
InChIKey NNMXZBXPEBWMQN-RTBURBONSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IPpfieIFJr
Name (3R,4'S)-2-Benzyl-4,4-dimethoxy-3-(2',2'-dimethyl-1',3'-dioxolan-4'-yl)-5-vinyl-2,3,4,7-tetrahydro-[1,2]oxazepine
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Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-6-17-12-13-26-22(14-16-10-8-7-9-11-16)19(21(17,23-4)24-5)18-15-25-20(2,3)27-18/h6-12,18-19H,1,13-15H2,2-5H3/t18-,19-/m1/s1
InChIKey NNMXZBXPEBWMQN-RTBURBONSA-N
Molecular Weight 375.465 g/mol
SMILES [C@]1(N(OCC=C(C1(OC)OC)C=C)Cc1ccccc1)([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-03di-0009000000-8624a3214bb96e23b69d
Source of Spectrum F4-42-312-8
Wiley ID 1673543