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Methyl 15-nor-ent-halima-1(10),12-dien-18-oate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 15-nor-ent-halima-1(10),12-dien-18-oate
SpectraBase Compound ID 2IS6F6Jt1hu
InChI InChI=1S/C20H32O2/c1-14(2)11-13-19(4)15(3)9-10-17-16(19)8-7-12-20(17,5)18(21)22-6/h8,11,15,17H,7,9-10,12-13H2,1-6H3/t15-,17+,19+,20+/m1/s1
InChIKey ASPPPKZKHYVGJK-LQJIQPLVSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KqRg9hym0Sl
Name Methyl 15-nor-ent-halima-1(10),12-dien-18-oate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-14(2)11-13-19(4)15(3)9-10-17-16(19)8-7-12-20(17,5)18(21)22-6/h8,11,15,17H,7,9-10,12-13H2,1-6H3/t15-,17+,19+,20+/m1/s1
InChIKey ASPPPKZKHYVGJK-LQJIQPLVSA-N
Molecular Weight 304.474 g/mol
SMILES C1=2[C@@]([C@](C(=O)OC)(C)CCC2)(CC[C@]([C@@]1(CC=C(C)C)C)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847823