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[(1R,2R)-2-tert-butylcyclopropyl]benzene

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

[(1R,2R)-2-tert-butylcyclopropyl]benzene
SpectraBase Compound ID DVbQeDEOsyl
InChI InChI=1S/C13H18/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12+/m0/s1
InChIKey WZWFYTWSMRJZIT-NWDGAFQWSA-N
Mol Weight 174.29 g/mol
Molecular Formula C13H18
Exact Mass 174.140851 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F5AFyfTNZWn
Name [(1R,2R)-2-Tert-butylcyclopropyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.140850580 u
Formula C13H18
InChI InChI=1S/C13H18/c1-13(2,3)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12+/m0/s1
InChIKey WZWFYTWSMRJZIT-NWDGAFQWSA-N
Molecular Weight 174.287 g/mol
SMILES [C@]1([C@](C=2C=CC=CC2)(C1)[H])(C(C)(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965817