| SpectraBase Spectrum ID |
uYe52XMVQO |
| Name |
(-)-4-(3as,5S,7bs,1ar,4R,7ar)-5-hydroxymethyl-3A,7B-dimethylperhydrocyclopropa-[A]-naphthalen-4-yl-butan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.224580204 u |
| Formula |
C18H30O2 |
| InChI |
InChI=1S/C18H30O2/c1-12(20)4-6-15-13(11-19)5-7-16-17(15,2)9-8-14-10-18(14,16)3/h13-16,19H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18?/m1/s1 |
| InChIKey |
MDMXQQKDQKSQPB-RGYNNNPXSA-N |
| SMILES |
C(O)[C@]1(CCC2C3(C(CCC2(C1CCC(=O)C)C)C3)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958647 |
![(-)-4-(3aS,5S,7bS,1aR,4R,7aR)-5-Hydroxymethyl-3a,7b-dimethylperhydrocyclopropa[a]naphthalen-4-ylbutan-2-one-](/api/spectrum/uYe52XMVQO/structure.png?h=300&w=458 "(-)-4-(3aS,5S,7bS,1aR,4R,7aR)-5-Hydroxymethyl-3a,7b-dimethylperhydrocyclopropa[a]naphthalen-4-ylbutan-2-one-")
