SpectraBase Compound ID | 78ph0DCjnfg |
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InChI | InChI=1S/C12H26O2/c1-3-4-5-6-7-11(2)10-12(14)8-9-13/h11-14H,3-10H2,1-2H3/t11-,12+/m0/s1 |
InChIKey | VCJWNFLYTTUVEG-NWDGAFQWSA-N |
Mol Weight | 202.34 g/mol |
Molecular Formula | C12H26O2 |
Exact Mass | 202.19328 g/mol |
SpectraBase Spectrum ID | HS27A1V8yZm |
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Name | (3S,5S)-5-methylundecane-1,3-diol |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H26O2 |
InChI | InChI=1S/C12H26O2/c1-3-4-5-6-7-11(2)10-12(14)8-9-13/h11-14H,3-10H2,1-2H3/t11-,12+/m0/s1 |
InChIKey | VCJWNFLYTTUVEG-NWDGAFQWSA-N |
Molecular Weight | 202.338 g/mol |
SMILES | OCC[C@](C[C@](CCCCCC)(C)[H])(O)[H] |
SPLASH | splash10-004i-9300000000-0d1766cca3c1552a1435 |
Source of Spectrum | J-65-7900-23 |
Wiley ID | 1533770 |