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2-Methoxycarbonyl-2-methylbrendane

View entire compound with spectra: 1 FTIR

2-Methoxycarbonyl-2-methylbrendane
SpectraBase Compound ID AGycY0WxwnG
InChI InChI=1S/C12H18O2/c1-12(11(13)14-2)8-5-7-3-4-10(12)9(7)6-8/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-,12+/m0/s1
InChIKey PTISFWFVTJIQLH-TYCYOEEFSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7mxDEDww3vc
Name 2-Methoxycarbonyl-2-methylbrendane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-12(11(13)14-2)8-5-7-3-4-10(12)9(7)6-8/h7-10H,3-6H2,1-2H3/t7-,8+,9+,10-,12+/m0/s1
InChIKey PTISFWFVTJIQLH-TYCYOEEFSA-N
Molecular Weight 194.274 g/mol
SMILES C1C[C@]2(C[C@]3([C@]([C@@]1([C@@]2(C3)[H])[H])(C(OC)=O)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906556