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(1aR*,7aS*,7bR*)-(+-)-1,1a,4,5,7a,7b-Hexahydro-2H-cycloprop[a]indolizin-2-one
SpectraBase Compound ID 6TZywHDx1fG
InChI InChI=1S/C9H11NO/c11-9-7-5-6(7)8-3-1-2-4-10(8)9/h1,3,6-8H,2,4-5H2/t6-,7-,8+/m1/s1
InChIKey CJPGUMHCOLUJMI-PRJMDXOYSA-N
Mol Weight 149.19 g/mol
Molecular Formula C9H11NO
Exact Mass 149.084064 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID sRAAPAH337
Name (1ar*,7as*,7br*)-(+-)-1,1A,4,5,7A,7B-hexahydro-2H-cycloprop[A]indolizin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 149.084063977 u
Formula C9H11NO
InChI InChI=1S/C9H11NO/c11-9-7-5-6(7)8-3-1-2-4-10(8)9/h1,3,6-8H,2,4-5H2/t6-,7-,8+/m1/s1
InChIKey CJPGUMHCOLUJMI-PRJMDXOYSA-N
Molecular Weight 149.193 g/mol
SMILES [C@@]12([C@@]([C@@]3(C=CCCN3C2=O)[H])([H])C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969797