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(3aS,8bS)-4-benzyl-8b-butyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

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

(3aS,8bS)-4-benzyl-8b-butyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
SpectraBase Compound ID Ag2wiP9eFPt
InChI InChI=1S/C22H27N/c1-2-3-15-22-16-9-14-21(22)23(17-18-10-5-4-6-11-18)20-13-8-7-12-19(20)22/h4-8,10-13,21H,2-3,9,14-17H2,1H3/t21-,22-/m0/s1
InChIKey YHFUMHNJQZRSEB-VXKWHMMOSA-N
Mol Weight 305.47 g/mol
Molecular Formula C22H27N
Exact Mass 305.21435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LKokG0sAInc
Name (3as,8bs)-4-Benzyl-8B-butyl-1,2,3,3A,4,8B-hexahydrocyclopenta[B]indole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.214349873 u
Formula C22H27N
InChI InChI=1S/C22H27N/c1-2-3-15-22-16-9-14-21(22)23(17-18-10-5-4-6-11-18)20-13-8-7-12-19(20)22/h4-8,10-13,21H,2-3,9,14-17H2,1H3/t21-,22-/m0/s1
InChIKey YHFUMHNJQZRSEB-VXKWHMMOSA-N
Molecular Weight 305.465 g/mol
SMILES C1=CC=C2N([C@@]3([C@@](C2=C1)(CCCC)CCC3)[H])CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852618