| SpectraBase Compound ID | 9L1FfqSVgro |
|---|---|
| InChI | InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15+,16+/m0/s1 |
| InChIKey | YPZUZOLGGMJZJO-SJXGUFTOSA-N |
| Mol Weight | 236.4 g/mol |
| Molecular Formula | C16H28O |
| Exact Mass | 236.214016 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3gSrM6ULHHa |
|---|---|
| Name | (+-)-5.beta.,8.alpha.-Ambrox |
| Alternate Name(s) | (3aR,5aS,9aR,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuran (+-)-5.beta.,8.alpha.,9.beta.-Ambrox 1,2,3a,4,4,4a.beta.,6,7,8,9,9a,9b.beta.-dodecahydro-3a.alpha.,6,6,9a.beta.-tetramethylnaphtho-[2,1-b]furan (3aR,5aS,9aR,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran 1,2,3a,4,5,5a.beta.,6,7,8,9,9a,9b.alpha.-Dodecahydro-3a.alpha.,6,6,9a.beta.-tetramethylnahtho[2,1-b]furan |
| CAS Registry Number | 131831-63-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H28O |
| InChI | InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15+,16+/m0/s1 |
| InChIKey | YPZUZOLGGMJZJO-SJXGUFTOSA-N |
| Molecular Weight | 236.399 g/mol |
| SMILES | [C@]12([C@](C(C)(C)CCC2)(CC[C@@]2([C@@]1(CCO2)[H])C)[H])C |
| SPLASH | splash10-0592-9230000000-028290f0a8e4b375ec34 |
| Source of Spectrum | H-73-1943-7 |
| Wiley ID | 1239039 |