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(2S,3S)-2,3-dimethyl-2-(prop-1-en-2-yl)bicyclo[2.2.1]heptane

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

(2S,3S)-2,3-dimethyl-2-(prop-1-en-2-yl)bicyclo[2.2.1]heptane
SpectraBase Compound ID IxAaq8xHzc8
InChI InChI=1S/C12H20/c1-8(2)12(4)9(3)10-5-6-11(12)7-10/h9-11H,1,5-7H2,2-4H3/t9-,10-,11+,12+/m0/s1
InChIKey UIVSDFDBHIJJDP-NNYUYHANSA-N
Mol Weight 164.29 g/mol
Molecular Formula C12H20
Exact Mass 164.156501 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AQBAy8YRWyk
Name (2S,3S)-2,3-Dimethyl-2-(prop-1-en-2-yl)bicyclo[2.2.1]heptane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.156500644 u
Formula C12H20
InChI InChI=1S/C12H20/c1-8(2)12(4)9(3)10-5-6-11(12)7-10/h9-11H,1,5-7H2,2-4H3/t9-,10-,11+,12+/m0/s1
InChIKey UIVSDFDBHIJJDP-NNYUYHANSA-N
Molecular Weight 164.292 g/mol
SMILES C1C[C@]2(C[C@@]1([C@]([C@]2(C)[H])(C)C(C)=C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947496