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1H-Indol-6-ol, 3a-(3,4-dimethoxyphenyl)-2,3,3a,6,7,7a-hexahydro-1-methyl-, acetate (ester), [3aS-(3a.alpha.,6.alpha.,7a.alpha.)]-

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

1H-Indol-6-ol, 3a-(3,4-dimethoxyphenyl)-2,3,3a,6,7,7a-hexahydro-1-methyl-, acetate (ester), [3aS-(3a.alpha.,6.alpha.,7a.alpha.)]-
SpectraBase Compound ID F5iFWihuUnh
InChI InChI=1S/C19H25NO4/c1-13(21)24-15-7-8-19(9-10-20(2)18(19)12-15)14-5-6-16(22-3)17(11-14)23-4/h5-8,11,15,18H,9-10,12H2,1-4H3/t15-,18+,19+/m0/s1
InChIKey WHOJRLJBHMLZLA-KFKAGJAMSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24ghNJ4vYwu
Name 1H-Indol-6-ol, 3A-(3,4-dimethoxyphenyl)-2,3,3A,6,7,7A-hexahydro-1-methyl-, acetate (ester), [3as-(3A.alpha.,6.alpha.,7A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.178358285 u
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-13(21)24-15-7-8-19(9-10-20(2)18(19)12-15)14-5-6-16(22-3)17(11-14)23-4/h5-8,11,15,18H,9-10,12H2,1-4H3/t15-,18+,19+/m0/s1
InChIKey WHOJRLJBHMLZLA-KFKAGJAMSA-N
Molecular Weight 331.412 g/mol
SMILES [C@]12([C@](N(C)CC2)(C[C@](C=C1)(OC(=O)C)[H])[H])C=1C=C(OC)C(=CC1)OC