| SpectraBase Spectrum ID |
2O8ILFzH5uo |
| Name |
5-Heptenoic acid, 6-methyl-, methyl ester (D1) |
| CAS Registry Number |
119405-12-8 |
| Comments |
Note: The molecular formula of the structure shown is C9H16O2 - which differs from the formula reported for the mass spectrum (C9H15DO2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H15DO2 |
| InChI |
InChI=1S/C9H16O2/c1-8(2)6-4-5-7-9(10)11-3/h6H,4-5,7H2,1-3H3 |
| InChIKey |
MSVPMPVXMOIPJI-UHFFFAOYSA-N |
| Molecular Weight |
156.225 g/mol |
| SMILES |
COC(=O)CCCC=C(C)C |
| SPLASH |
splash10-001i-9100000000-d3b1218546b01d09731f |
| Synonyms |
6-Methyl-5-heptenoic acid methyl ester (D1)
Methyl 6-methyl-5-heptenoate (D1)
6-Methylhept-5-enoic acid methyl ester (D1)
Methyl 6-methylhept-5-enoate (D1) |
| Wiley ID |
1487028 |
