| SpectraBase Spectrum ID |
LshgG6e1bMd |
| Name |
1-Benzoxepin-2(3H)-one, octahydro-5a-methyl-, trans- |
| CAS Registry Number |
103216-22-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-11-7-3-2-5-9(11)13-10(12)6-4-8-11/h9H,2-8H2,1H3/t9-,11+/m1/s1 |
| InChIKey |
NUIPDJVZVXCUOT-KOLCDFICSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C1(O[C@]2([C@](CCC1)(CCCC2)C)[H])=O |
| SPLASH |
splash10-0002-9000000000-f8206a71804889823f7d |
| Source of Spectrum |
I-66-484-7 |
| Synonyms |
(5aS,9aR)-5a-methyloctahydro-1-benzoxepin-2(3H)-one
5a-methyl-trans-octahydro-1-benzoxepin-2(3H)-one |
| Wiley ID |
1178810 |
