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2-.beta.-(2-Nitroethoxy)clovan-9.alpha.-ol
SpectraBase Compound ID IQhDOAM0TP5
InChI InChI=1S/C17H29NO4/c1-15(2)10-14(22-9-8-18(20)21)17-7-5-13(19)16(3,11-17)6-4-12(15)17/h12-14,19H,4-11H2,1-3H3/t12-,13+,14-,16+,17-/m0/s1
InChIKey JDMGPKGPWLQWMW-NHMCJKAESA-N
Mol Weight 311.42 g/mol
Molecular Formula C17H29NO4
Exact Mass 311.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbicJv0qmkI
Name 2-.beta.-(2-Nitroethoxy)clovan-9.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO4
InChI InChI=1S/C17H29NO4/c1-15(2)10-14(22-9-8-18(20)21)17-7-5-13(19)16(3,11-17)6-4-12(15)17/h12-14,19H,4-11H2,1-3H3/t12-,13+,14-,16+,17-/m0/s1
InChIKey JDMGPKGPWLQWMW-NHMCJKAESA-N
Molecular Weight 311.422 g/mol
SMILES O[C@@]1(CC[C@@]23[C@](C(C)(C)C[C@@]3(OCCN(=O)=O)[H])(CC[C@@]1(C2)C)[H])[H]
SPLASH splash10-0ly6-0690000000-9a22af3bee9e46f6d740
Source of Spectrum F-52-7968-11
Synonyms (1S,2R,5S,8R,9S)-4,4,8-trimethyl-2-(2-nitroethoxy)tricyclo[6.3.1.0(1,5)]dodecan-9-ol (3S,3aS,6R,7R,9aS)-1,1,7-Trimethyl-3-(2-nitro-ethoxy)-decahydro-3a,7-methano-cyclopentacycloocten-6-ol
Wiley ID 796987