| SpectraBase Compound ID | 2Sh3dGNNwng |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h2-7,11-14H,1H2/t11-,12-/m1/s1 |
| InChIKey | JTUDWGAHCMUYFS-VXGBXAGGSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KwpWe1dLpy4 |
|---|---|
| Name | (3R,4R)-6-phenylhex-1-en-5-yne-3,4-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h2-7,11-14H,1H2/t11-,12-/m1/s1 |
| InChIKey | JTUDWGAHCMUYFS-VXGBXAGGSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | O[C@@]([C@@](C#Cc1ccccc1)(O)[H])(C=C)[H] |
| SPLASH | splash10-0ue9-0900000000-10062f53fbcba15c2af4 |
| Source of Spectrum | J-62-1747-25 |
| Wiley ID | 1184987 |