| SpectraBase Spectrum ID |
DcqoBFaWFeu |
| Name |
(3S,4R,7S)-3-Allyl-7-isopropyl-4-methyl-oxepan-2-one |
| Alternate Name(s) |
(3S,4R,7S)-4-methyl-7-propan-2-yl-3-prop-2-enyl-2-oxepanone
(3S,4R,7S)-4-methyl-7-propan-2-yl-3-prop-2-enyloxepan-2-one |
| CAS Registry Number |
142746-41-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-5-6-11-10(4)7-8-12(9(2)3)15-13(11)14/h5,9-12H,1,6-8H2,2-4H3/t10-,11+,12+/m1/s1 |
| InChIKey |
APSZEEWSDKQGFI-WOPDTQHZSA-N |
| Molecular Weight |
210.317 g/mol |
| SMILES |
C1(O[C@@](CC[C@]([C@@]1(CC=C)[H])(C)[H])(C(C)C)[H])=O |
| SPLASH |
splash10-014i-9000000000-905d1be203fb92b901ca |
| Source of Spectrum |
U-1992-968-10 |
| Wiley ID |
764392 |
