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(1-Adamantyl)-tert-butylketene
SpectraBase Compound ID 76bqIP8z6H3
InChI InChI=1S/C16H24O/c1-15(2,3)14(10-17)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-9H2,1-3H3/t11-,12+,13-,16-
InChIKey KCFXOCBNJGXAQR-WTHWONHRSA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GjOh9Ii4bIQ
Name (1-Adamantyl)-tert-butylketene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.182715392 u
Formula C16H24O
InChI InChI=1S/C16H24O/c1-15(2,3)14(10-17)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,4-9H2,1-3H3/t11-,12+,13-,16-
InChIKey KCFXOCBNJGXAQR-WTHWONHRSA-N
Molecular Weight 232.367 g/mol
SMILES C12(C(=C=O)C(C)(C)C)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92073