SpectraBase Compound ID | 1j5heSN63VZ |
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InChI | InChI=1S/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h8-10,12H,1,4-6H2,2-3H3 |
InChIKey | ANFVVVXUWXWLKD-UHFFFAOYSA-N |
Mol Weight | 166.26 g/mol |
Molecular Formula | C11H18O |
Exact Mass | 166.135765 g/mol |
SpectraBase Spectrum ID | 1d69zAd7DV8 |
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Name | 3(7)-Carene, 4-hydroxymethyl-, exo- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.135765199 u |
Formula | C11H18O |
InChI | InChI=1S/C11H18O/c1-7-4-9-10(11(9,2)3)5-8(7)6-12/h8-10,12H,1,4-6H2,2-3H3 |
InChIKey | ANFVVVXUWXWLKD-UHFFFAOYSA-N |
Molecular Weight | 166.264 g/mol |
SMILES | CC1(C)C2CC(CO)C(CC12)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905164 |