| SpectraBase Spectrum ID |
5c0xkkxSOGM |
| Name |
3-(Hexahydro-1H-azepin-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.152143537 u |
| Formula |
C15H21NO3 |
| InChI |
InChI=1S/C15H21NO3/c17-14(16-7-3-1-2-4-8-16)12-10-5-6-11(9-10)13(12)15(18)19/h5-6,10-13H,1-4,7-9H2,(H,18,19)/t10-,11+,12-,13-/m0/s1 |
| InChIKey |
BCXDAYVGRBLLJD-RNJOBUHISA-N |
| Molecular Weight |
263.337 g/mol |
| SMILES |
OC([C@@]1([C@@](C(=O)N2CCCCCC2)([C@@]2(C[C@]1(C=C2)[H])[H])[H])[H])=O |
![3-(hexahydro-1H-azepin-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid](/api/spectrum/5c0xkkxSOGM/structure.png?h=300&w=458 "3-(hexahydro-1H-azepin-1-ylcarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid")
