| SpectraBase Spectrum ID |
K2aZIuDra85 |
| Name |
5-[3H]-isoretronecanol |
| Comments |
Original formula: C8H14[3H]NO; Note: The molecular formula of the structure shown is C8H14TNO - which differs from the formula reported for the mass spectrum (C8H14[3H]NO) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H15NO |
| InChI |
InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/s1/i4T/t4?,7-,8+ |
| InChIKey |
LOFDEIYZIAVXHE-NWUSGIAASA-N |
| Molecular Weight |
143.222 g/mol |
| SMILES |
OC[C@@]1([C@]2(N(CC1)C(CC2)[3H])[H])[H] |
| SPLASH |
splash10-001i-9200000000-1e7a5fbe8146ddf43c63 |
| Source of Spectrum |
X2-49-843-5 |
| Synonyms |
5-[3H]-1-(Hydroxymethyl)-pyrrolizidine |
| Wiley ID |
1602051 |
