| SpectraBase Compound ID | FXiZ7ba3M84 |
|---|---|
| InChI | InChI=1S/C16H33N5O7S2/c1-3-29-14(30-4-2)11(21-16(19)26)12(24)8(5-22)28-13-10(20-15(18)25)9(17)7(23)6-27-13/h7-14,22-24H,3-6,17H2,1-2H3,(H3,18,20,25)(H3,19,21,26)/t7-,8?,9+,10-,11?,12?,13+/m1/s1 |
| InChIKey | ADCIJGDPYXYMLD-HYWUBFJNSA-N |
| Mol Weight | 471.6 g/mol |
| Molecular Formula | C16H33N5O7S2 |
| Exact Mass | 471.182141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KD8jNkKeiP4 |
|---|---|
| Name | Spermidine fragment C16 |
| CAS Registry Number | 67005-69-0 |
| Comments | hydrochloride |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H33N5O7S2 |
| InChI | InChI=1S/C16H33N5O7S2/c1-3-29-14(30-4-2)11(21-16(19)26)12(24)8(5-22)28-13-10(20-15(18)25)9(17)7(23)6-27-13/h7-14,22-24H,3-6,17H2,1-2H3,(H3,18,20,25)(H3,19,21,26)/t7-,8?,9+,10-,11?,12?,13+/m1/s1 |
| InChIKey | ADCIJGDPYXYMLD-HYWUBFJNSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | G.A. Ellestad, D.B. Cosulich, R. Broschard, J. Am. Chem. Soc. 100, 2515 (1978). |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |