| SpectraBase Spectrum ID |
4YPLFwAKMi |
| Name |
Mannitol 6HFB |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
1357.934508532 u |
| Formula |
C30H8F42O12 |
| InChI |
InChI=1S/C30H8F42O12/c31-13(32,19(43,44)25(55,56)57)7(73)79-1-3(81-9(75)15(35,36)21(47,48)27(61,62)63)5(83-11(77)17(39,40)23(51,52)29(67,68)69)6(84-12(78)18(41,42)24(53,54)30(70,71)72)4(82-10(76)16(37,38)22(49,50)28(64,65)66)2-80-8(74)14(33,34)20(45,46)26(58,59)60/h3-6H,1-2H2 |
| InChIKey |
YUDFPZIAOIFEPC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
1358.315 g/mol |
| SMILES |
C(F)(C(C(F)(F)F)(F)F)(C(OC(C(OC(=O)C(F)(C(C(F)(F)F)(F)F)F)C(OC(=O)C(F)(C(C(F)(F)F)(F)F)F)COC(=O)C(F)(F)C(C(F)(F)F)(F)F)C(OC(=O)C(F)(C(C(F)(F)F)(F)F)F)COC(=O)C(F)(C(C(F)(F)F)(F)F)F)=O)F |
| SPLASH |
splash10-014i-7983100000-510c072f8706a8e3f742 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5802 |
