| SpectraBase Compound ID | 4HVKf67I0tq |
|---|---|
| InChI | InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1 |
| InChIKey | RPAORVSEYNOMBR-IUIKQTSFSA-N |
| Mol Weight | 271.32 g/mol |
| Molecular Formula | C16H17NO3 |
| Exact Mass | 271.120843 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | dDDSc2Tz73 |
|---|---|
| Name | Crinine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO3 |
| InChI | InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,11,15,18H,3-4,6,8-9H2/t11-,15+,16+/m0/s1 |
| InChIKey | RPAORVSEYNOMBR-IUIKQTSFSA-N |
| Instrument Name | Agilent 6890N GC 5975 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.jnatprod.5b00785 |
| Molecular Weight | 271.316 g/mol |
| SMILES | O[C@]1(C=C[C@@]23c4cc5c(cc4CN([C@@]2(C1)[H])CC3)OCO5)[H] |
| SPLASH | splash10-00ds-0940000000-b9adf22b5dd681022af1 |
| Source of Spectrum | G4-79-1242-Crinine |
| Synonyms | Vittatine |
| Wiley ID | 1849325 |