| SpectraBase Compound ID | 2Z9H7OlwnXk |
|---|---|
| InChI | InChI=1S/C22H33NO4/c1-14(2)18-8-6-15(3)10-20(18)27-22(24)23(5)16(4)11-17-7-9-19-21(12-17)26-13-25-19/h7,9,12,14-16,18,20H,6,8,10-11,13H2,1-5H3/t15-,16+,18+,20-/m1/s1 |
| InChIKey | ZXLUSFFSFFPYTH-NDUPCHFUSA-N |
| Mol Weight | 375.5 g/mol |
| Molecular Formula | C22H33NO4 |
| Exact Mass | 375.240959 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BqcClOJlOWH |
|---|---|
| Name | N,N-((-)-(1R)-menthoxycarbonyl)-methyl-3,4-methylenedioxyamphetamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.240958543 u |
| Formula | C22H33NO4 |
| InChI | InChI=1S/C22H33NO4/c1-14(2)18-8-6-15(3)10-20(18)27-22(24)23(5)16(4)11-17-7-9-19-21(12-17)26-13-25-19/h7,9,12,14-16,18,20H,6,8,10-11,13H2,1-5H3/t15-,16+,18+,20-/m1/s1 |
| InChIKey | ZXLUSFFSFFPYTH-NDUPCHFUSA-N |
| Molecular Weight | 375.509 g/mol |
| SMILES | [C@]1([C@](C(C)C)(CC[C@](C1)(C)[H])[H])(OC(N([C@](CC=1C=C2C(=CC1)OCO2)(C)[H])C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824706 |