SpectraBase Compound ID | 4ZDUYwDbKiJ |
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InChI | InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3 |
InChIKey | CAKWRXVKWGUISE-UHFFFAOYSA-N |
Mol Weight | 100.16 g/mol |
Molecular Formula | C6H12O |
Exact Mass | 100.088815 g/mol |
SpectraBase Spectrum ID | L1JxmcZ2r1T |
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Name | 1-Methylcyclopentanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 100.088815005 u |
Formula | C6H12O |
InChI | InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3 |
InChIKey | CAKWRXVKWGUISE-UHFFFAOYSA-N |
Molecular Weight | 100.161 g/mol |
SMILES | OC1(CCCC1)C |
Spectrum/Structure Validation Score (Raman) | 0.829367 |