| SpectraBase Spectrum ID |
IaUhxzb6FAl |
| Name |
1-Benzoxepin-2(3H)-one, octahydro- (D1) |
| CAS Registry Number |
617-86-7 |
| Comments |
Note: The molecular formula of the structure shown is C10H16O2 - which differs from the formula reported for the mass spectrum (C10H15DO2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H15DO2 |
| InChI |
InChI=1S/C10H16O2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h8-9H,1-7H2 |
| InChIKey |
JFTXZBPTXPXYOF-UHFFFAOYSA-N |
| Molecular Weight |
168.236 g/mol |
| SMILES |
C12C(OC(CCC2)=O)CCCC1 |
| SPLASH |
splash10-000i-9100000000-3a6643444eb952894aa8 |
| Synonyms |
Octahydro-1-benzoxepin-2(3H)-one (D1)
4,5,5a,6,7,8,9,9a-Octahydro-3H-benzo[b]oxepin-2-one (D1) |
| Wiley ID |
1485207 |
