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5- Tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one

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

5- Tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one
SpectraBase Compound ID D7eWQR16gA0
InChI InChI=1S/C13H20O/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10H,4-8H2,1-3H3
InChIKey XDPIXKFFQSXOSI-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3NOwrrfkSGr
Name 5- Tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h10H,4-8H2,1-3H3
InChIKey XDPIXKFFQSXOSI-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C1(=O)C2=C(CC(C(C)(C)C)CC2)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965881