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3,4,5,6,7,9,10,15b-Octahydrocyclopenta[a][1,3]dioxolo[4,5-h]pyrido[2,1-b][3]benzepine

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3,4,5,6,7,9,10,15b-Octahydrocyclopenta[a][1,3]dioxolo[4,5-h]pyrido[2,1-b][3]benzepine
SpectraBase Compound ID 5abUT73yv0V
InChI InChI=1S/C18H21NO2/c1-2-8-19-9-5-13-10-16-17(21-12-20-16)11-14(13)15-4-3-7-18(15,19)6-1/h3-4,10-11,15H,1-2,5-9,12H2/t15-,18?/m0/s1
InChIKey CMZIPCBXDQSPSR-BUSXIPJBSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4MRf7vX1lAe
Name 3,4,5,6,7,9,10,15B-Octahydrocyclopenta[A][1,3]dioxolo[4,5-H]pyrido[2,1-B][3]benzepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.157228918 u
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c1-2-8-19-9-5-13-10-16-17(21-12-20-16)11-14(13)15-4-3-7-18(15,19)6-1/h3-4,10-11,15H,1-2,5-9,12H2/t15-,18?/m0/s1
InChIKey CMZIPCBXDQSPSR-BUSXIPJBSA-N
SMILES C1=2[C@]3(C4(N(CCCC4)CCC1=CC1=C(C2)OCO1)CC=C3)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871719