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Calycotomine, N-methyl-

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Calycotomine, N-methyl-
SpectraBase Compound ID 5wQXUSx7BKe
InChI InChI=1S/C13H19NO3/c1-14-5-4-9-6-12(16-2)13(17-3)7-10(9)11(14)8-15/h6-7,11,15H,4-5,8H2,1-3H3
InChIKey MPQNKXAKACYHDY-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1tLx7BrdVWx
Name Calycotomine, N-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.136493473 u
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-14-5-4-9-6-12(16-2)13(17-3)7-10(9)11(14)8-15/h6-7,11,15H,4-5,8H2,1-3H3
InChIKey MPQNKXAKACYHDY-UHFFFAOYSA-N
Molecular Weight 237.299 g/mol
SMILES C1(=C(C=C2C(=C1)C(N(CC2)C)CO)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882721