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1,2,3,3a,12b,12c-Hexahydroapoerysopine dimethyl ether

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

1,2,3,3a,12b,12c-Hexahydroapoerysopine dimethyl ether
SpectraBase Compound ID 9zDKifDKAVa
InChI InChI=1S/C18H25NO2/c1-20-16-10-13-7-9-19-8-6-12-4-3-5-14(18(12)19)15(13)11-17(16)21-2/h10-12,14,18H,3-9H2,1-2H3
InChIKey NCSANVRPWJQNLH-UHFFFAOYSA-N
Mol Weight 287.4 g/mol
Molecular Formula C18H25NO2
Exact Mass 287.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3nmzegWiZgA
Name 1,2,3,3A,12B,12C-Hexahydroapoerysopine dimethyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.188529047 u
Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-20-16-10-13-7-9-19-8-6-12-4-3-5-14(18(12)19)15(13)11-17(16)21-2/h10-12,14,18H,3-9H2,1-2H3
InChIKey NCSANVRPWJQNLH-UHFFFAOYSA-N
Molecular Weight 287.403 g/mol
SMILES C1=2C3C4N(CCC4CCC3)CCC1=CC(=C(C2)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87897