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15,16-Dimethoxy-trans-erythrinane-8-one

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

15,16-Dimethoxy-trans-erythrinane-8-one
SpectraBase Compound ID EwFgMOxSpq6
InChI InChI=1S/C18H23NO3/c1-21-15-9-12-6-8-19-17(20)10-13-5-3-4-7-18(13,19)14(12)11-16(15)22-2/h9,11,13H,3-8,10H2,1-2H3/t13-,18+/m1/s1
InChIKey QCDZHKRMRHCSHP-ACJLOTCBSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9bLfcAvuVkh
Name 15,16-Dimethoxy-trans-erythrinane-8-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.167793602 u
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-21-15-9-12-6-8-19-17(20)10-13-5-3-4-7-18(13,19)14(12)11-16(15)22-2/h9,11,13H,3-8,10H2,1-2H3/t13-,18+/m1/s1
InChIKey QCDZHKRMRHCSHP-ACJLOTCBSA-N
SMILES C1C[C@@]23C=4C(=CC(OC)=C(OC)C4)CCN3C(C[C@@]2([H])CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910348