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Diacetylmonocrotaline
SpectraBase Compound ID 3OJdnGSc0lQ
InChI InChI=1S/C20H27NO8/c1-11-17(24)27-15-7-9-21-8-6-14(16(15)21)10-26-18(25)20(5,29-13(3)23)19(11,4)28-12(2)22/h6,11,15-16H,7-10H2,1-5H3
InChIKey QYZUGPWAGWFQNV-UHFFFAOYSA-N
Mol Weight 409.44 g/mol
Molecular Formula C20H27NO8
Exact Mass 409.173667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1dhziqpUuG
Name Diacetylmonocrotaline
CAS Registry Number 25490-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO8
InChI InChI=1S/C20H27NO8/c1-11-17(24)27-15-7-9-21-8-6-14(16(15)21)10-26-18(25)20(5,29-13(3)23)19(11,4)28-12(2)22/h6,11,15-16H,7-10H2,1-5H3
InChIKey QYZUGPWAGWFQNV-UHFFFAOYSA-N
Molecular Weight 409.435 g/mol
SMILES CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)OC(=O)C)(C)OC(=O)C
SPLASH splash10-00rl-2910000000-1e347db09b6f259bf32c
Source of Spectrum SI-144-8-0
Wiley ID 1373295