| SpectraBase Spectrum ID |
CKBscHzqzIl |
| Name |
(1S,3R,6R)-3-Isopropyl-6-methyl-7-azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.172878983 u |
| Formula |
C13H23NO2 |
| InChI |
InChI=1S/C13H23NO2/c1-5-16-12(15)14-11-8-10(9(2)3)6-7-13(11,14)4/h9-11H,5-8H2,1-4H3/t10-,11+,13-,14?/m1/s1 |
| InChIKey |
IUZAJBRSCDHPCY-QZGMINCNSA-N |
| Molecular Weight |
225.332 g/mol |
| SMILES |
[C@@]12(N([C@]1(C[C@@](CC2)(C(C)C)[H])[H])C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842026 |
![(1S,3R,6R)-3-isopropyl-6-methyl-7-azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester](/api/spectrum/CKBscHzqzIl/structure.png?h=300&w=458 "(1S,3R,6R)-3-isopropyl-6-methyl-7-azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester")
