SpectraBase Compound ID | LRckfAoyLuQ |
---|---|
InChI | InChI=1S/C7H10.C3H6O/c1-2-7-4-3-6(1)5-7;1-3-2-4-3/h1-2,6-7H,3-5H2;3H,2H2,1H3/t6-,7+; |
InChIKey | JHSFOXBGJLMKBW-UKMDXRBESA-N |
Mol Weight | 152.24 g/mol |
Molecular Formula | C10H16O |
Exact Mass | 152.120115 g/mol |
SpectraBase Spectrum ID | HfEjbF3InXx |
---|---|
Name | nan |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.120115134 u |
Formula | C10H16O |
InChI | InChI=1S/C7H10.C3H6O/c1-2-7-4-3-6(1)5-7;1-3-2-4-3/h1-2,6-7H,3-5H2;3H,2H2,1H3/t6-,7+; |
InChIKey | JHSFOXBGJLMKBW-UKMDXRBESA-N |
Molecular Weight | 152.237 g/mol |
Nominal Mass | 152 u |
SMILES | C1C(C)O1.C=1[C@@]2(CC[C@](C1)(C2)[H])[H] |