SpectraBase Compound ID | HMD0SbhdMSZ |
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InChI | InChI=1S/C10H18O/c1-8(2)9-4-5-10(9,3)6-7-11/h9,11H,1,4-7H2,2-3H3/t9-,10-/m0/s1 |
InChIKey | SJKPJXGGNKMRPD-UWVGGRQHSA-N |
Mol Weight | 154.25 g/mol |
Molecular Formula | C10H18O |
Exact Mass | 154.135765 g/mol |
SpectraBase Spectrum ID | 2AnzzMDxsNh |
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Name | Fragranol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 154.135765199 u |
Formula | C10H18O |
InChI | InChI=1S/C10H18O/c1-8(2)9-4-5-10(9,3)6-7-11/h9,11H,1,4-7H2,2-3H3/t9-,10-/m0/s1 |
InChIKey | SJKPJXGGNKMRPD-UWVGGRQHSA-N |
Molecular Weight | 154.253 g/mol |
SMILES | C(O)C[C@@]1(CC[C@]1(C(=C)C)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921257 |