SpectraBase Compound ID | 4FodgcTePo9 |
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InChI | InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11+,12?,13?,14?,16-/m0/s1 |
InChIKey | KYIYXWHVYGBAKF-GOQOPGKRSA-N |
Mol Weight | 263.38 g/mol |
Molecular Formula | C16H25NO2 |
Exact Mass | 263.188529 g/mol |
SpectraBase Spectrum ID | 8MqbdB2MWSL |
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Name | Annofoline |
CAS Registry Number | 664-23-3 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C16H25NO2 |
InChI | InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11+,12?,13?,14?,16-/m0/s1 |
InChIKey | KYIYXWHVYGBAKF-GOQOPGKRSA-N |
Molecular Weight | 263.381 g/mol |
SMILES | OC1C2[C@]34C([C@@](C1)(C([C@](C4)(C)[H])=O)[H])CCCN3CCC2 |
SPLASH | splash10-0006-6900000000-895d01321a2bbccf9c65 |
Source of Spectrum | CD-220-0-0 |
Wiley ID | 1267058 |