| SpectraBase Compound ID | D78j9MNBaWJ |
|---|---|
| InChI | InChI=1S/C29H48/c1-19(2)21-10-9-20-13-17-28(6)22(25(20)21)11-12-24-27(5)16-8-15-26(3,4)23(27)14-18-29(24,28)7/h9,19,21-25H,8,10-18H2,1-7H3/t21-,22-,23-,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | BPXMFLUGCNUDED-LWEDJEFBSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C29H48 |
| Exact Mass | 396.375602 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F52SjJobtni |
|---|---|
| Name | 28-Norlup-17(22)-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.375601546 u |
| Formula | C29H48 |
| InChI | InChI=1S/C29H48/c1-19(2)21-10-9-20-13-17-28(6)22(25(20)21)11-12-24-27(5)16-8-15-26(3,4)23(27)14-18-29(24,28)7/h9,19,21-25H,8,10-18H2,1-7H3/t21-,22-,23-,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | BPXMFLUGCNUDED-LWEDJEFBSA-N |
| Molecular Weight | 396.703 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CC[C@]2([C@@]2([C@@](CC=C2CC1)(C(C)C)[H])[H])[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916284 |