| SpectraBase Spectrum ID |
2gB1TwYus5h |
| Name |
1,2-Benzisoxazole-3-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-7a-phenyl-, ethyl ester |
| CAS Registry Number |
115106-27-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO3 |
| InChI |
InChI=1S/C16H19NO3/c1-2-19-15(18)14-13-10-6-7-11-16(13,20-17-14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3 |
| InChIKey |
FKKBRJBDHNXFAG-UHFFFAOYSA-N |
| Molecular Weight |
273.332 g/mol |
| SMILES |
C1(=NOC2(C1CCCC2)c1ccccc1)C(=O)OCC |
| SPLASH |
splash10-0a4i-0090000000-d145d158d9678dda4086 |
| Source of Spectrum |
F-43-3985-0 |
| Synonyms |
3-Carbethoxy-7a-phenyl-3a,4,5,6,7,7a-hexahydro-1ndoxazene
ethyl 7a-phenyl-3a,4,5,6,7,7a-hexahydro-1,2-benzisoxazole-3-carboxylate |
| Wiley ID |
1277306 |
