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1-[(11S)-3.beta.-Hydroxyeudesma-4,6-dien-12-yl]piperidine
SpectraBase Compound ID 7IZtSSXNcwC
InChI InChI=1S/C20H33NO/c1-15(14-21-11-5-4-6-12-21)17-7-9-20(3)10-8-19(22)16(2)18(20)13-17/h13,15,19,22H,4-12,14H2,1-3H3/t15-,19+,20+/m1/s1
InChIKey MTSYVRKFKSHQAH-XPGWFJOJSA-N
Mol Weight 303.5 g/mol
Molecular Formula C20H33NO
Exact Mass 303.256215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F8DsW37lgN0
Name 1-[(11S)-3.beta.-Hydroxyeudesma-4,6-dien-12-yl]piperidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.256214686 u
Formula C20H33NO
InChI InChI=1S/C20H33NO/c1-15(14-21-11-5-4-6-12-21)17-7-9-20(3)10-8-19(22)16(2)18(20)13-17/h13,15,19,22H,4-12,14H2,1-3H3/t15-,19+,20+/m1/s1
InChIKey MTSYVRKFKSHQAH-XPGWFJOJSA-N
SMILES C1=2C=C([C@@](CN3CCCCC3)(C)[H])CC[C@]1(CC[C@@](C2C)(O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940521