SpectraBase Compound ID | ALLibpyVmLv |
---|---|
InChI | InChI=1S/C12H24O2/c1-4-5-6-7-8-9-14-12(3)10-11(2)13/h8-9,11-13H,4-7,10H2,1-3H3/b9-8+/t11-,12-/m1/s1 |
InChIKey | NTAYVGAFSSZHHT-SVKHLYGUSA-N |
Mol Weight | 200.32 g/mol |
Molecular Formula | C12H24O2 |
Exact Mass | 200.17763 g/mol |
SpectraBase Spectrum ID | FRjE45Zxbfw |
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Name | rel-(1'R,3'R)-(E)-1-(3'-Hydroxy-1'-methylbutoxy)-1-heptene |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 200.177630011 u |
Formula | C12H24O2 |
InChI | InChI=1S/C12H24O2/c1-4-5-6-7-8-9-14-12(3)10-11(2)13/h8-9,11-13H,4-7,10H2,1-3H3/b9-8+/t11-,12-/m1/s1 |
InChIKey | NTAYVGAFSSZHHT-SVKHLYGUSA-N |
Molecular Weight | 200.322 g/mol |
SMILES | C(\C=C\O[C@@](C[C@](O)(C)[H])(C)[H])CCCC |