| SpectraBase Compound ID | 3rdWJI1TXsE |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h12-15,22H,8-11H2,1-7H3/b16-12-/t13-,14-,15-/m0/s1 |
| InChIKey | IPVYZLACGWVYRC-LDHUZMSNSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2goPGEi45ud |
|---|---|
| Name | Isopectinatone |
| Alternate Name(s) | 4-Hydroxy-3,5-dimethyl-6-((Z)-(3S,5S,7S)-1,3,5,7-tetramethyl-dec-1-enyl)-pyran-2-one 4-Hydroxy-3,5-dimethyl-6-[(1Z,3S,5S,7S)-1,3,5,7-tetramethyl-1-decenyl]-2H-pyran-2-one 4-Hydroxy-3,5-dimethyl-6-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]-2-pyranone 4-Hydroxy-3,5-dimethyl-6-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]pyran-2-one 3,5-Dimethyl-4-oxidanyl-6-[(Z,4S,6S,8S)-4,6,8-trimethylundec-2-en-2-yl]pyran-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h12-15,22H,8-11H2,1-7H3/b16-12-/t13-,14-,15-/m0/s1 |
| InChIKey | IPVYZLACGWVYRC-LDHUZMSNSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | OC=1C(=C(OC(C1C)=O)\C(=C/[C@](C[C@](C[C@](CCC)(C)[H])(C)[H])(C)[H])C)C |
| SPLASH | splash10-0159-0900000000-632a2a85130e437eacae |
| Source of Spectrum | F-53-2308-5 |
| Wiley ID | 800573 |