![(Z)-9-[11,11,12,12,13,13,1,4,14,15,15,16,16,17,17,18,18,18-2H17]octadecenoic acid](/api/spectrum/51vGDsuU9qK/structure.png?h=300&w=458 "(Z)-9-[11,11,12,12,13,13,1,4,14,15,15,16,16,17,17,18,18,18-2H17]octadecenoic acid")
| SpectraBase Compound ID | 8DdZS6YigBH |
|---|---|
| InChI | InChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3/b5-3-/i1D3,2D2,4D2,6D2,8D2,10D2,11D2 |
| InChIKey | QDPAWHWSRVALOP-AVJMDITCSA-N |
| Mol Weight | 282.5 g/mol |
| Molecular Formula | C16H14D15NO2 |
| Exact Mass | 282.31398 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 51vGDsuU9qK |
|---|---|
| Name | (Z)-9-[11,11,12,12,13,13,1,4,14,15,15,16,16,17,17,18,18,18-2H17]octadecenoic acid |
| Alternate Name(s) | (Z)-9-[11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18[2H17]octadecenoic acid (Z)-9-[11,11,12,12,13,13,14,14,16,16,17,17,18,18,18[2H115]octadecenoic acid (Z)-9-[11,11,12,12,13,13,1,4,14,16,16,17,17,18,18,18-2H17]octadecenoic acid (Z)-9-[11,11,12,12,13,13,14,14,16,16,17,17,18,18,18[2H17]octadecenoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H14D15NO2 |
| InChI | InChI=1S/C16H29NO2/c1-2-10-15-11-8-6-4-3-5-7-9-12-16(18)19-14-13-17-15/h3,5,15,17H,2,4,6-14H2,1H3/b5-3-/i1D3,2D2,4D2,6D2,8D2,10D2,11D2 |
| InChIKey | QDPAWHWSRVALOP-AVJMDITCSA-N |
| Molecular Weight | 282.505 g/mol |
| SMILES | N1CCOC(CCC\C=C/C(C(C(C(C1C(C(C([D])([D])[D])([D])[D])([D])[D])([D])[D])([D])[D])([D])[D])([D])[D])=O |
| SPLASH | splash10-001i-2290000000-c6e336e674fb1670247b |
| Source of Spectrum | F-55-958-0 |
| Wiley ID | 836645 |