| SpectraBase Spectrum ID |
2pVeN7DzWFM |
| Name |
Sabinyl acetate |
| CAS Registry Number |
3536-54-7 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11-,12+/m1/s1 |
| InChIKey |
PBWRFXQNNGSAQG-UTUOFQBUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
194.274 g/mol |
| Nominal Mass |
194 u |
| Quality |
933 |
| Retention Index |
1475 |
| SMILES |
[C@]12([C@](C2)(C([C@@](C1)(OC(=O)C)[H])=C)[H])C(C)C |
| SPLASH |
splash10-0006-9100000000-a57f513798f71ade68fe |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Isopropyl-4-methylenebicyclo[3.1.0]hex-3-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018274 |
