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[(1S,2R)-2-cyclopropylcyclopropyl]benzene

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[(1S,2R)-2-cyclopropylcyclopropyl]benzene
SpectraBase Compound ID 8OuLKGzFYyW
InChI InChI=1S/C12H14/c1-2-4-9(5-3-1)11-8-12(11)10-6-7-10/h1-5,10-12H,6-8H2/t11-,12-/m1/s1
InChIKey KSHFEAGAHCIIOG-VXGBXAGGSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CkswAHlT19i
Name [(1S,2R)-2-Cyclopropylcyclopropyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 158.109550451 u
Formula C12H14
InChI InChI=1S/C12H14/c1-2-4-9(5-3-1)11-8-12(11)10-6-7-10/h1-5,10-12H,6-8H2/t11-,12-/m1/s1
InChIKey KSHFEAGAHCIIOG-VXGBXAGGSA-N
Molecular Weight 158.244 g/mol
SMILES [C@@]1([C@@](C2=CC=CC=C2)(C1)[H])(C1CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981582