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1-[(11S)-3.beta.-Hydroxyeudesma-4,6-dien-12-yl]pyrrolidine
SpectraBase Compound ID 3umfbM1xmt4
InChI InChI=1S/C19H31NO/c1-14(13-20-10-4-5-11-20)16-6-8-19(3)9-7-18(21)15(2)17(19)12-16/h12,14,18,21H,4-11,13H2,1-3H3/t14?,18-,19-/m0/s1
InChIKey HLDCGYHBMASTGB-SQJZIBIZSA-N
Mol Weight 289.46 g/mol
Molecular Formula C19H31NO
Exact Mass 289.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LJUeTFNfzlO
Name 1-[(11S)-3.beta.-Hydroxyeudesma-4,6-dien-12-yl]pyrrolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.240564621 u
Formula C19H31NO
InChI InChI=1S/C19H31NO/c1-14(13-20-10-4-5-11-20)16-6-8-19(3)9-7-18(21)15(2)17(19)12-16/h12,14,18,21H,4-11,13H2,1-3H3/t14?,18-,19-/m0/s1
InChIKey HLDCGYHBMASTGB-SQJZIBIZSA-N
Molecular Weight 289.463 g/mol
SMILES C1=2C=C(C(CN3CCCC3)C)CC[C@]1(CC[C@@](C2C)(O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94011