SpectraBase Compound ID | AkMJI5jgyIz |
---|---|
InChI | InChI=1S/C15H22O3/c1-4-15(16)12(2)6-5-11-18-14-9-7-13(17-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3/t12-/m0/s1 |
InChIKey | CVAVAUHZFACPLY-LBPRGKRZSA-N |
Mol Weight | 250.34 g/mol |
Molecular Formula | C15H22O3 |
Exact Mass | 250.156895 g/mol |
SpectraBase Spectrum ID | BlEsoOXiarS |
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Name | (4S)-7-(4-Methoxyphenoxy)-4-methyl-3-heptanone |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 250.156894565 u |
Formula | C15H22O3 |
InChI | InChI=1S/C15H22O3/c1-4-15(16)12(2)6-5-11-18-14-9-7-13(17-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3/t12-/m0/s1 |
InChIKey | CVAVAUHZFACPLY-LBPRGKRZSA-N |
Molecular Weight | 250.338 g/mol |
SMILES | C(=O)([C@](CCCOC=1C=CC(=CC1)OC)(C)[H])CC |