| SpectraBase Spectrum ID |
JNfVXMxWJ6j |
| Name |
3-Hydroxy-6-acetoxytropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
199.120843408 u |
| Formula |
C10H17NO3 |
| InChI |
InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10+/m0/s1 |
| InChIKey |
AEVQETQLKSVJET-NKSXPTFNSA-N |
| Molecular Weight |
199.250 g/mol |
| SMILES |
C(O[C@]1([C@@]2(N(C)[C@](C1)(CC(C2)O)[H])[H])[H])(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861015 |
