| SpectraBase Compound ID | Ka7gjYtBKti |
|---|---|
| InChI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(7)6-11/h6-8H,4-5H2,1-3H3/t7-,8+,10+/m0/s1 |
| InChIKey | AGTSNXAZDKAPHU-QXFUBDJGSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C10H16O |
| Exact Mass | 152.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3MTKtUM220k |
|---|---|
| Name | Photocitral B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.120115134 u |
| Formula | C10H16O |
| InChI | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(7)6-11/h6-8H,4-5H2,1-3H3/t7-,8+,10+/m0/s1 |
| InChIKey | AGTSNXAZDKAPHU-QXFUBDJGSA-N |
| Molecular Weight | 152.237 g/mol |
| SMILES | [C@]12(CC[C@](C2(C)C)([C@]1(C=O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909678 |