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Cyclopent[d][1,3]oxazine-1(2H)-carboxylic acid,hexahydro-5,6,7-tris(phenylmethoxy)-, phenyl ester, [4aR-(4a.alpha.,5.alpha.,6.beta.,7.alpha.,7a.alpha.)]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cyclopent[d][1,3]oxazine-1(2H)-carboxylic acid,hexahydro-5,6,7-tris(phenylmethoxy)-, phenyl ester, [4aR-(4a.alpha.,5.alpha.,6.beta.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID 9Jg4kA9SbEp
InChI InChI=1S/C29H35NO4/c1-30(2)26-25(18-31)27(32-19-22-12-6-3-7-13-22)29(34-21-24-16-10-5-11-17-24)28(26)33-20-23-14-8-4-9-15-23/h3-17,25-29,31H,18-21H2,1-2H3/t25-,26+,27+,28+,29+/m1/s1
InChIKey YAOFQOTVFVLJLD-QZLCNWOESA-N
Mol Weight 461.6 g/mol
Molecular Formula C29H35NO4
Exact Mass 461.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XBiVZIGsoq
Name Cyclopent[D][1,3]oxazine-1(2H)-carboxylic acid,hexahydro-5,6,7-tris(phenylmethoxy)-, phenyl ester, [4ar-(4A.alpha.,5.alpha.,6.beta.,7.alpha.,7A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.256608607 u
Formula C29H35NO4
InChI InChI=1S/C29H35NO4/c1-30(2)26-25(18-31)27(32-19-22-12-6-3-7-13-22)29(34-21-24-16-10-5-11-17-24)28(26)33-20-23-14-8-4-9-15-23/h3-17,25-29,31H,18-21H2,1-2H3/t25-,26+,27+,28+,29+/m1/s1
InChIKey YAOFQOTVFVLJLD-QZLCNWOESA-N
Molecular Weight 461.602 g/mol
SMILES [C@]1([C@@]([C@](OCC2=CC=CC=C2)([C@]([C@]1(N(C)C)[H])(OCC1=CC=CC=C1)[H])[H])(OCC=1C=CC=CC1)[H])(CO)[H]