![(1S,12S)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0<3,7>]tetradec-7-en-6-one](/api/spectrum/GjzNYiG9w8y/structure.png?h=300&w=458 "(1S,12S)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0<3,7>]tetradec-7-en-6-one")
| SpectraBase Compound ID | 1BZQ5SBLGzI |
|---|---|
| InChI | InChI=1S/C15H21BrO3/c1-14(2)11-5-4-9-10(8-18-13(9)17)19-15(11,3)7-6-12(14)16/h4,10-12H,5-8H2,1-3H3 |
| InChIKey | BEMNKPXNGWTBLQ-UHFFFAOYSA-N |
| Mol Weight | 329.23 g/mol |
| Molecular Formula | C15H21BrO3 |
| Exact Mass | 328.067408 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GjzNYiG9w8y |
|---|---|
| Name | (1S,12S)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0<3,7>]tetradec-7-en-6-one |
| Alternate Name(s) | 7-Bromanyl-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one 7-Bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1H-furo[3,4-b][1]benzoxepin-3-one Furo(3,4-b)(1)benzoxepin-1(3H)-one, 7-bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-, (3aR-(3aalpha,4abeta,7beta,8aalpha))- |
| CAS Registry Number | 62003-89-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H21BrO3 |
| InChI | InChI=1S/C15H21BrO3/c1-14(2)11-5-4-9-10(8-18-13(9)17)19-15(11,3)7-6-12(14)16/h4,10-12H,5-8H2,1-3H3 |
| InChIKey | BEMNKPXNGWTBLQ-UHFFFAOYSA-N |
| Molecular Weight | 329.234 g/mol |
| SMILES | CC12C(C(C)(C)C(CC2)Br)CC=C2C(O1)COC2=O |
| SPLASH | splash10-0fki-0940000000-8c2f9b08f69f821c778d |
| Source of Spectrum | F-37-1614-0 |
| Wiley ID | 1325987 |